SCHEMBL985142

SCHEMBL985142

Cc1nc(Cl)cc(C(=O)Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
GPR35 Q9HC97 1/20 0.37
S1PR2 O95136 1/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 3/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 3/20 0.32
SIRT6 Q8N6T7 1/20 0.31
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL30528409 0.83 KMO (0.39) KMOALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL9196203 0.83 KMO (0.54) KMOALDH1A1SMN1; SMN2MAPK1GPR35
Hydrochloric Acid SCHEMBL2192452 0.82 KMO (0.53) KMOALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL31224327 0.79 BAZ2B (0.47) SMN1; SMN2S1PR2NPC1RAB9APOLB
SCHEMBL3641920 0.79 KDM4E (0.44) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL5683134 0.78 LMNA (0.50) KMOALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL2823270 0.76 CYP1A2 (0.51) ALDH1A1SMN1; SMN2MAPK1S1PR2NPC1
SCHEMBL3055010 0.75 LMNA (0.47) KMOALDH1A1SMN1; SMN2MAPK1GPR35
SCHEMBL24739337 0.75 NOS3 (0.38) KMOSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5850051 0.75 POLB (0.45) ALDH1A1SMN1; SMN2MAPK1GPR35S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4339193-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF Innovstone Therapeutics Limited (CN) 2024-03-20 EP disclosed
CN-113330009-B Azacyclic compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN disclosed
WO-2022237858-A1 COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2022-11-17 WO disclosed
CN-115340528-A Compound with anti-tumor activity and application thereof 上海翊石医药科技有限公司 2022-11-15 CN disclosed
CN-113330009-A Nitrogen heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-08-31 CN disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 WO disclosed
WO-2020182018-A1 NITROGEN HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2020-09-17 WO disclosed
EP-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-04 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
CN-101910184-A Solubility thiazole and pyridine SIRTRIS PHARMACEUTICALS INC 2010-12-08 CN disclosed
CN-101827845-A Cgrp antagonists BOEHRINGER INGELHEIM INT 2010-09-08 CN disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050234-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-5324710-A Sulfonated heterocyclic carboxamides and their use as herbicides, and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-28 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 (3 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 KMO 634/4885ALDH1A1 778/4885SMN1; SMN2 1294/4885
US-20180280390-A1 Heteroaryl-Pyrimidinone Compounds as PDE2 Inhibitors PDE2A, PDE12, PDE7B KMO 461/4885ALDH1A1 718/4885SMN1; SMN2 1516/4885
US-10195201-B2 Heteroaryl-pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE7B KMO 461/4885ALDH1A1 718/4885SMN1; SMN2 1516/4885

“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.