SCHEMBL858595

SCHEMBL858595

Cc1ccc2nc(Cl)ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 4/20 0.48
NCK1 P16333 1/20 0.46
BACE1 P56817 1/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
CYP2A6 P11509 2/20 0.41
NQO2 P16083 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 1/20 0.40
EGFR P00533 1/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR3A P46098 1/20 0.37

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
SCHEMBL30718860 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2NCK1
SCHEMBL4416704 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2NCK1
SCHEMBL30908162 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2CYP1A2NCK1
SCHEMBL8404380 0.79 CYP1A2 (0.52) ALDH1A1KDM4ECYP1A2NCK1BACE1
SCHEMBL2595849 0.79 HTR3A (0.50) ALDH1A1KDM4ESMN1; SMN2BACE1CYP2A6
SCHEMBL30354091 0.79 HTR3A (0.50) ALDH1A1KDM4ESMN1; SMN2BACE1CYP2A6
SCHEMBL14146496 0.78 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL14239550 0.76 CYP1A2 (0.48) ALDH1A1KDM4ECYP1A2NCK1BACE1
SCHEMBL2632884 0.76 LCK (0.57) ALDH1A1CYP1A2NCK1BACE1MAPT
SCHEMBL446874 0.76 KDM4E (0.46) ALDH1A1KDM4ESMN1; SMN2CYP1A2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
CN-116940576-A Method for producing S, S- (6-methylquinoxaline-2, 3-diyl) dithiocarbonate 株式会社大阪曹达 2023-10-24 CN disclosed
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 WO disclosed
WO-2020156512-A1 AROMATIC (HETERO)CYCLIC ETHER COMPOUND HAVING INSECTICIDAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 华东理工大学 2020-08-06 WO disclosed
CN-107001377-B Pyrazolo [1,5-A] pyrimidine derivatives that there is the piperidines of inhibitory activity to replace the duplication of Respiratory Syncytial Virus(RSV) (RSV) 爱尔兰詹森科学公司 2019-09-10 CN disclosed
CN-107207512-B Tricyclic pyrazole simultaneously [1, the 5-A] pyrimidine derivatives that there is the piperidines of inhibitory activity to replace the duplication of Respiratory Syncytial Virus(RSV) (RSV) 爱尔兰詹森科学公司 2019-09-10 CN disclosed
EP-3365061-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-08-29 EP disclosed
CN-105949203-B Octahydro pyrrolo- [3,4-c] azole derivatives and its application method and purposes 广东东阳光药业有限公司 2018-07-13 CN disclosed
CN-100475793-C Quinazoline derivatives and use for preparing medicine TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-08 CN disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
CN-1795180-A Novel quinazoline derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2006-06-28 CN disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
EP-1451175-A1 THROMBIN INHIBITORS University of Ljubljana (SI) 2004-09-01 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
WO-2003048155-A1 THROMBIN INHIBITORS UNIVERSITY OF LJUBLJANA (SI) 2003-06-12 WO disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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 (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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 ALDH1A1 2395/4885KDM4E 3728/4885SMN1; SMN2 4810/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 ALDH1A1 2581/4885KDM4E 2920/4885SMN1; SMN2 3394/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 ALDH1A1 3122/4885KDM4E 376/4885SMN1; SMN2 3575/4885

“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.