SCHEMBL409405

SCHEMBL409405

Cc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
KIF11 P52732 2/20 0.47
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
AR P10275 11/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
ELANE P08246 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL171819 0.84 KIF11 (0.51) TRPV4KIF11ARALDH1A1CYP2A6
SCHEMBL19726590 0.82 KIF11 (0.44) TRPV4KIF11ARALDH1A1CYP2A6
SCHEMBL7569957 0.81 TRPV4 (0.58) TRPV4KIF11AR
SCHEMBL16957015 0.80 NOTUM (0.36) TRPV4KIF11CTSSCTSKAR
SCHEMBL6211552 0.80 NOTUM (0.40) TRPV4KIF11CTSSCTSKAR
SCHEMBL7604551 0.79 TRPV4 (0.56) TRPV4KIF11AR
SCHEMBL8225797 0.78 TRPV4 (0.56) TRPV4KIF11ARALDH1A1
SCHEMBL16019370 0.78 TRPV4 (0.56) TRPV4KIF11ARALDH1A1
SCHEMBL10502974 0.78 TRPV4 (0.54) TRPV4KIF11AR
SCHEMBL1003776 0.78 AR (0.58) TRPV4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111072636-B Synthesis method of flumatinib 江苏豪森药业集团有限公司 2022-08-23 CN claimed
CN-111072636-A Synthesis method of flumatinib 江苏豪森药业集团有限公司 2020-04-28 CN claimed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 CN claimed
CN-101460467-B Diarylthiohydantoin compounds UNIV CALIFORNIA 2012-09-19 CN claimed
CN-101460467-A Diarylthiohydantoin compounds UNIV CALIFORNIA (US) 2009-06-17 CN claimed
US-20260034126-A1 KRAS INHIBITORS INCYTE CORP (US) 2026-02-05 US disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-12030904-B2 Phospholipid compounds and uses thereof GILEAD SCIENCES, INC. (US) 2024-07-09 US disclosed
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-07-04 US disclosed
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-27 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
US-5589497-A ANTIANDROGENS Uclaf, Roussel (FR) 1996-12-31 US disclosed
US-5556983-A ANTIANDROGENS ROUSSEL UCLAF (FR) 1996-09-17 US disclosed
US-5434176-A Antiandrogens ROUSSEL UCLAF (FR) 1995-07-18 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 (7 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-20260034126-A1 KRAS INHIBITORS KRAS, NRAS, HRAS TRPV4 4786/4885KIF11 2789/4885CTSS 2919/4885
US-12030904-B2 Phospholipid compounds and uses thereof PHOSPHO1, SGMS2, SGMS1 TRPV4 2452/4885KIF11 4039/4885CTSS 951/4885
US-20240224783-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, ICOSLG TRPV4 78/4885KIF11 3780/4885CTSS 390/4885
US-20240209013-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, SSB, L1CAM TRPV4 1438/4885KIF11 3381/4885CTSS 2274/4885
US-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 TRPV4 1849/4885KIF11 4591/4885CTSS 3765/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA TRPV4 3329/4885KIF11 4555/4885CTSS 1940/4885
US-20240218004-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND2 TRPV4 504/4885KIF11 1809/4885CTSS 978/4885

“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.