SCHEMBL1996295

SCHEMBL1996295

COc1nc(Cl)ncc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 7/20 0.40
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NUDT1 P36639 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
RECQL P46063 2/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL20733627 0.81 RPS6KA5 (0.36) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL1981633 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2
SCHEMBL30786798 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2
SCHEMBL2437490 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2
SCHEMBL19676032 0.78 AURKA (0.39) ALDH1A1KDM4ESMN1; SMN2PIN1RXRA
SCHEMBL89746 0.77 NUDT1 (0.36) ALDH1A1KDM4ESMN1; SMN2PIN1GAA
SCHEMBL9918974 0.77 LMNA (0.38) ALDH1A1SMN1; SMN2RXRAGRIN1GRIN2B
SCHEMBL15614460 0.77 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2
SCHEMBL2817366 0.77 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2
SCHEMBL1997439 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2PIN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744661-A2 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
EP-4298092-B1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-11-26 EP disclosed
WO-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 WO disclosed
EP-4568954-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF Insilico Medicine IP Limited (HK) 2025-06-18 EP disclosed
CN-119677729-A Cyclin Dependent Kinase (CDK) 12 and/or CDK13 inhibitors and uses thereof 英矽智能科技知识产权有限公司 2025-03-21 CN disclosed
US-20240336590-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2024-10-10 US disclosed
WO-2024032561-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-02-15 WO disclosed
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-25 US disclosed
EP-4298092-A1 NOVEL PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-01-03 EP disclosed
CN-116829550-A Pyrimidine-2-ylsulfonamide derivatives 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
EP-1196394-A1 NOVEL CARBOXYLIC ACID DERIVATIVES WITH 5,6 SUBSTITUTED PYRIMIDINE RING, THE PRODUCTION AND UTILIZATION THEREOF AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2002-04-17 EP disclosed
WO-2001005771-A1 NOVEL CARBOXYLIC ACID DERIVATIVES WITH 5,6 SUBSTITUTED PYRIMIDINE RING, THE PRODUCTION AND UTILIZATION THEREOF AS ENDOTHELIN RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed
US-5811540-A 5-O-pyrimidyl-2,3-dideoxy-1-thiofuranoside derivative, and production method and use thereof THE NOGUCHI INSTITUTE (JP) 1998-09-22 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 (4 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD ALDH1A1 530/4885KDM4E 3882/4885SMN1; SMN2 3328/4885
US-20240025883-A1 PYRIMIDIN-2-YL SULFONAMIDE DERIVATIVES GPR17, GPR27, GPR119 ALDH1A1 1275/4885KDM4E 3786/4885SMN1; SMN2 1128/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 ALDH1A1 2036/4885KDM4E 1190/4885SMN1; SMN2 1477/4885
US-20240336590-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2778/4885KDM4E 3729/4885SMN1; SMN2 4239/4885

“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.