SCHEMBL9944712

SCHEMBL9944712

Cc1nc2c(s1)CN(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
GRM5 P41594 2/20 0.35
HRH3 Q9Y5N1 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
RAD52 P43351 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL8277491 0.84 HRH3 (0.48) PDE10AGRM5HRH3NPC1ALDH1A1
SCHEMBL8051769 0.84 GRM5 (0.51) PDE10AGRM5HRH3NPC1ALDH1A1
SCHEMBL13068419 0.78 PDE10A (0.35) PDE10ANPC1ALDH1A1TP53MAPT
SCHEMBL26957502 0.76 GRM5 (0.34) GRM5HRH3
SCHEMBL14907204 0.74 EGFR (0.34) ALDH1A1MAPTHPGDRAD52
SCHEMBL14907245 0.72 NPC1 (0.47) PDE10AGRM5NPC1ALDH1A1RAB9A
SCHEMBL14111064 0.72 PDE10A (0.40) PDE10AGRM5HRH3ALDH1A1MAPT
SCHEMBL15857871 0.72 GRM5 (0.33) GRM5HRH3
SCHEMBL12340962 0.72 GRM5 (0.33) GRM5HRH3
SCHEMBL12344032 0.72 RAD52 (0.38) GRM5HRH3NPC1RAB9ARAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4223369-A1 IMMUNOMODULATOR COMPOUNDS AND METHODS OF USE Incyte Corporation (US) 2023-08-09 EP disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
WO-2018119224-A1 TETRAHYDRO IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS PD-L1 INTERNALIZATION INDUCERS INCYTE CORPORATION (US) 2018-06-28 WO disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
US-9708347-B2 Heterobicyclo-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2017-07-13 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 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 (11 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 PDE10A 3963/4885GRM5 3121/4885HRH3 2861/4885
US-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 PDE10A 3050/4885GRM5 4093/4885HRH3 4417/4885
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PDE4B, PDE4A, PDE3B PDE10A 18/4885GRM5 1248/4885HRH3 1634/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 PDE10A 2995/4885GRM5 838/4885HRH3 2548/4885
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 PDE10A 3502/4885GRM5 3594/4885HRH3 3254/4885
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 PDE10A 1921/4885GRM5 2195/4885HRH3 2885/4885
US-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PDE10A 895/4885GRM5 1827/4885HRH3 869/4885
US-20170197991-A1 HETEROBICYCLO-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA3, ADORA1 PDE10A 557/4885GRM5 42/4885HRH3 251/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA PDE10A 372/4885GRM5 789/4885HRH3 87/4885
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR PDE10A 2953/4885GRM5 964/4885HRH3 770/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 PDE10A 3502/4885GRM5 3594/4885HRH3 3254/4885

“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.