SCHEMBL366972

SCHEMBL366972

N#Cc1cc(F)c(F)cc1F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.65
KHK P50053 1/20 0.43
CYP11B2 P19099 15/20 0.38
CYP11B1 P15538 14/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6651303 0.94 TRPV4 (0.71) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL9489932 0.91 TRPV4 (0.61) TRPV4KHKCYP11B2CYP11B1
SCHEMBL2783854 0.88 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL20444058 0.83 TRPV4 (0.54) TRPV4KHKCYP11B2CYP11B1
SCHEMBL20444106 0.83 TRPV4 (0.60) TRPV4KHKCYP11B2CYP11B1
SCHEMBL29242731 0.81 TRPV4 (0.58) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL20444104 0.80 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL23830843 0.79 TRPV4 (0.50) TRPV4
SCHEMBL934418 0.79 TRPV4 (0.50) TRPV4KHKCYP11B2CYP11B1ALDH1A1
SCHEMBL10947192 0.79 TRPV4 (0.56) TRPV4KHKCYP11B2CYP11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774786-B1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE BAYER AG (DE) 2024-12-25 EP claimed
CN-112236426-B Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones 拜耳股份有限公司 2024-07-05 CN claimed
CN-118126051-A Polymorphic substance of mutant BRAF degradation agent and preparation method thereof C4医药公司 2024-06-04 CN claimed
EP-3898595-B1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME LLC (US) 2024-05-01 EP claimed
CN-117466729-A Synthesis method of 2,4, 5-trifluoro phenylacetic acid 山东国邦药业有限公司 2024-01-30 CN claimed
US-11365179-B2 Method for the preparation of a 2,4,5-trisubstituted 1,2,4-triazolone BAYER AKTIENGESELLSCHAFT (DE) 2022-06-21 US claimed
EP-3774786-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE Bayer Aktiengesellschaft (DE) 2021-02-17 EP claimed
US-20210032212-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 2021-02-04 US claimed
CN-112236426-A Process for preparing 2,4, 5-trisubstituted 1,2, 4-triazolones 拜耳股份有限公司 2021-01-15 CN claimed
WO-2019197239-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO claimed
CN-102617570-A Preparation method of 1,2-dihydroisoquinoline compound of pyrazole ring UNIV FUDAN 2012-08-01 CN claimed
US-6399807-B1 REACTING 2,4,5-TRIFLUOROANILINE WITH NITROSATING AGENT IN DILUENT BAYER AKTIEGESELLSCHAFT (DE) 2002-06-04 US claimed
US-6075160-A 4-cyano-2,5-difluoroaniline preparation process BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 US claimed
EP-0854859-B1 4-CYANO-2,5-DIFLUORANILINE PREPARATION PROCESS BAYER AG (DE) 2000-05-24 EP claimed
EP-0994849-A1 METHOD FOR PRODUCTION OF 2,4,5-TRIFLUOROBENZONITRILE BAYER AG (DE) 2000-04-26 EP claimed
WO-1999001425-A1 METHOD FOR PRODUCTION OF 2,4,5-TRIFLUOROBENZONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO claimed
EP-0557949-B1 Process for the preparation of 2,4,5 trifluorobenzonitrile CLARIANT GMBH (DE) 1998-12-16 EP claimed
EP-0854859-A1 4-CYANO-2,5-DIFLUORANILINE PREPARATION PROCESS BAYER AG (DE) 1998-07-29 EP claimed
WO-1997008136-A1 4-CYANO-2,5-DIFLUORANILINE PREPARATION PROCESS BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO claimed
EP-0557949-A2 Process for the preparation of 2,4,5 trifluorobenzonitrile HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20210032212-A1 METHOD FOR THE PREPARATION OF A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE TES, CYP51A1, CYP4B1 TRPV4 1840/4885KHK 1703/4885CYP11B2 17/4885
US-11365179-B2 Method for the preparation of a 2,4,5-trisubstituted 1,2,4-triazolone TES, CYP51A1, CYP4B1 TRPV4 1840/4885KHK 1703/4885CYP11B2 17/4885

“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.