SCHEMBL12448285

SCHEMBL12448285

CC(C)NC(=O)C1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.42
HTT P42858 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
PIK3CD O00329 1/20 0.39
BRPF1 P55201 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12872495 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL21516186 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL24313104 0.88 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL10076786 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL172134 0.84
SCHEMBL24571405 0.84 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ATSHRRECQL
SCHEMBL24568222 0.84 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ATSHRRECQL
SCHEMBL13127953 0.82 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2ATSHRRECQL
SCHEMBL1703385 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL12375164 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
WO-2023009642-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2023-02-02 WO disclosed
WO-2023005280-A1 PREPARATION AND APPLICATION OF AMINOPYRIMIDINE DERIVATIVE SELECTIVELY TARGETING CDK9 中国药科大学 2023-02-02 WO disclosed
WO-2023005281-A1 PREPARATION METHOD FOR AND APPLICATION OF NOVEL CDK9 INHIBITOR HAVING MACROCYCLIC SKELETON STRUCTURE 中国药科大学 2023-02-02 WO disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2021-01-14 US disclosed
US-10780073-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2020-09-22 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150299219-A1 BICYCLIC PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-10-22 US disclosed
US-8969388-B1 Substituted pyrazolone compounds and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-03 US disclosed
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2015-02-19 US disclosed
US-8648087-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2014-02-11 US disclosed
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. (US) 2014-01-23 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ARRAY BIOPHARMA, INC. 2011-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV SMN1; SMN2 2217/4885MEN1 2072/4885KMT2A 3333/4885
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 SMN1; SMN2 4731/4885MEN1 3702/4885KMT2A 2533/4885
US-20210008023-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 SMN1; SMN2 4452/4885MEN1 928/4885KMT2A 1221/4885
US-20140023643-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 SMN1; SMN2 4403/4885MEN1 886/4885KMT2A 1182/4885
US-20110034689-A1 N4-Phenyl-Quinazoline-4-Amine Derivatives and Related Compounds as ErbB Type I Receptor Tyrosine Kinase Inhibitors for the Treatment of Hyperproliferative Diseases ERBB4, ERBB2, ERBB3 SMN1; SMN2 4403/4885MEN1 886/4885KMT2A 1182/4885
US-20150299219-A1 BICYCLIC PYRAZOLONE COMPOUNDS AND METHODS OF USE MET, RET, ERBB2 SMN1; SMN2 3573/4885MEN1 916/4885KMT2A 2225/4885
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 SMN1; SMN2 4403/4885MEN1 886/4885KMT2A 1182/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4476/4885MEN1 2327/4885KMT2A 2807/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK SMN1; SMN2 4641/4885MEN1 4367/4885KMT2A 3692/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB SMN1; SMN2 2725/4885MEN1 4336/4885KMT2A 1946/4885
US-10780073-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ERBB4, ERBB2, ERBB3 SMN1; SMN2 4403/4885MEN1 886/4885KMT2A 1182/4885
US-20150050239-A1 SUBSTITUTED PYRAZOLONE COMPOUNDS AND METHODS OF USE MKI67, PRKACA, PRKDC SMN1; SMN2 2837/4885MEN1 3376/4885KMT2A 3910/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.