SCHEMBL3929345

SCHEMBL3929345

CS(=N)(=O)c1ccc(N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
LMNA P02545 3/20 0.56
HTR6 P50406 3/20 0.56
CYP3A4 P08684 2/20 0.56
MPO P05164 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
CA1 P00915 4/20 0.54
CA12 O43570 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
CA14 Q9ULX7 2/20 0.54
AGO2 Q9UKV8 2/20 0.54
USP2 O75604 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
SCHEMBL30232451 0.80 CA2 (0.58) TSHRCA2CA9CA1CA12
SCHEMBL55092 0.79 TSHR (0.62) TSHRLMNAHTR6CYP3A4MPO
SCHEMBL488382 0.77 GAA (0.59) LMNACYP3A4CYP2C9CA2CA9
Hydrochloric Acid SCHEMBL560710 0.77 GAA (0.60) TSHRLMNAHTR6CYP3A4MPO
SCHEMBL2281688 0.76 ALDH1A1 (0.48) LMNACA2CA9CA1CA12
SCHEMBL23145865 0.75 ENPP2 (0.41) LMNACA2CA9CA1CA12
SCHEMBL486726 0.75 ALDH1A1 (0.56) CYP3A4CA2CA9CA1CA12
SCHEMBL17642663 0.75 CA1 (0.46) CA2CA9CA1CA12MMP1
SCHEMBL9628601 0.75 CA2 (0.52) CA2CA9CA1CA12CA14
SCHEMBL2290762 0.75 PTGS2 (0.48) TSHRCA2CA1ALDH1A1MMP1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 US disclosed
WO-2024238574-A1 CDK INHIBITOR COMPOUNDS ALEKSIA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors G1 THERAPEUTICS, INC. (US) 2023-05-09 US disclosed
EP-4097223-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-12-07 EP disclosed
WO-2021236650-A1 CYCLIN-DEPENDENT KINASE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 WO disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-8507510-B2 Sulfoximine-substituted pyrimidines as CDK- and/or VEGF inhibitors, their production and use as pharmaceutical agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-13 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
US-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2010-03-25 US disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
EP-1673352-B1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CD AND/OR VEGF-INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS BAYER SCHERING PHARMA AG (DE) 2009-04-08 EP disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
US-7338958-B2 Sulfoximine-substituted pyrimidines as CDK-and/or VEGF inhibitors, their production and use as pharmaceutical agents SCHERING AG (DE) 2008-03-04 US disclosed
EP-1673352-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005037800-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES FOR USE AS CDK AND/OR VEGF INHIBITORS, THE PRODUCTION THEREOF AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-28 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-20100076000-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS CDK2, CDK1, FLT1 TSHR 594/4885LMNA 4699/4885HTR6 1872/4885
US-11643416-B2 Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors CDK2, CCNI, CCNK TSHR 2222/4885LMNA 2634/4885HTR6 2452/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR TSHR 1833/4885LMNA 3633/4885HTR6 3520/4885

“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.