SCHEMBL1663474

SCHEMBL1663474

CNC(=O)c1cnc(C)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 9/20 0.56
ALDH1A1 P00352 7/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 2/20 0.54
BLM P54132 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL30874242 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2216041 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL1874036 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL14683912 0.81 CNR1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL24204452 0.79 CNR1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2216038 0.79 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL2629263 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL6429450 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL7493215 0.78 POLB (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL422747 0.78 SIRT6 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
WO-2023072191-A1 PYRROLOPYRAZOLE SPIRO COMPOUND 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-05-26 US disclosed
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 US disclosed
US-8865720-B2 Sulfonyl-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2014-10-21 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
EP-1485365-B1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-14 EP disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 US disclosed
US-20080108601-A1 anticancer agents; catalytic hydrogenation VAN EMELEN KRISTOF 2008-05-08 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE EMELEN KRISTOF V 2007-06-21 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
US-7205304-B2 medicine to inhibit proliferative conditions, such as cancer and psoriasis JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-17 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO 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 (6 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 NPC1 1993/4885RAB9A 2328/4885SMN1; SMN2 222/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 NPC1 106/4885RAB9A 2083/4885SMN1; SMN2 4460/4885
US-20220160719-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE EGFR, ERBB2, ERBB4 NPC1 2827/4885RAB9A 549/4885SMN1; SMN2 3609/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 NPC1 3205/4885RAB9A 946/4885SMN1; SMN2 4560/4885
US-20070142393-A1 SULFONYL-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC11 NPC1 1459/4885RAB9A 2186/4885SMN1; SMN2 3960/4885
US-20080108601-A1 anticancer agents; catalytic hydrogenation HDAC1, HDAC11, HDAC3 NPC1 2453/4885RAB9A 1351/4885SMN1; SMN2 4056/4885

“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.