SCHEMBL4684332

SCHEMBL4684332

COCCOc1cc(F)c(CO)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
SYK P43405 1/20 0.35
FFAR1 O14842 3/20 0.35
CBFB Q13951 1/20 0.33
KDR P35968 2/20 0.33
GPBAR1 Q8TDU6 4/20 0.32
NR4A2 P43354 1/20 0.32
DHODH Q02127 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
CHEK2 O96017 1/20 0.32
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL17197091 0.95 GPBAR1 (0.37) TAAR1SYKFFAR1GPBAR1NR4A2
SCHEMBL4677635 0.89 KDR (0.37) TAAR1SYKFFAR1KDRFGFR1
SCHEMBL16562822 0.83 TAAR1 (0.40) TAAR1DHODH
SCHEMBL4678667 0.83 LTA4H (0.39) TAAR1
SCHEMBL19312814 0.81 TAAR1 (0.39) TAAR1SYKFFAR1KDRGPBAR1
SCHEMBL4680955 0.81 LTA4H (0.42) FFAR1
SCHEMBL14853644 0.81 TAAR1 (0.39) TAAR1SYKFFAR1KDRGPBAR1
SCHEMBL4682530 0.80 SLC6A4 (0.39) TAAR1FFAR1KDRKDM4E
SCHEMBL7094266 0.80 PLA2G2A (0.47)
SCHEMBL17347650 0.79 TAAR1 (0.32) TAAR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-16 US disclosed
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-04-23 US disclosed
US-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-11-23 US disclosed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 WO disclosed
US-9265763-B2 2016-02-23 US disclosed
US-9265763-B2 2016-02-23 US disclosed
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 US disclosed
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 US disclosed
WO-2013050438-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES. BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-04-11 WO disclosed
EP-1343775-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-06-04 EP disclosed
EP-1343775-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-17 EP disclosed
US-20020143020-A1 Novel piperazine derivatives VERNALIS RESEARCH LIMITED (GB) 2002-10-03 US disclosed
WO-2002048124-A2 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-20 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 (8 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-20020143020-A1 Novel piperazine derivatives CYP4B1, UGT1A1, CYP1B1 TAAR1 319/4885SYK 3196/4885FFAR1 195/4885
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 TAAR1 3771/4885SYK 1977/4885FFAR1 2063/4885
US-10350206-B2 Benzyl substituted indazoles as BUB1 inhibitors BUB1, BUB1B, BUB3 TAAR1 4103/4885SYK 3263/4885FFAR1 4597/4885
US-20170333398-A1 HETEROCYCLIC DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAR2B, PRKAR2A, PRKAG3 TAAR1 1528/4885SYK 958/4885FFAR1 29/4885
US-20140249133-A1 SUBSTITUTED BENZYLINDAZOLES FOR USE AS BUB1 KINASE INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BUB1, BUB1B, BUB3 TAAR1 4327/4885SYK 2508/4885FFAR1 4363/4885
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BUB1, BUB1B, BUB3 TAAR1 4103/4885SYK 3263/4885FFAR1 4597/4885
US-10266548-B2 Substituted benzylindazoles for use as Bub1 kinase inhibitors in the treatment of hyperproliferative diseases BUB1, BUB1B, BUB3 TAAR1 4263/4885SYK 2434/4885FFAR1 4372/4885
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 TAAR1 4123/4885SYK 2337/4885FFAR1 4523/4885

“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.