SCHEMBL16008376

SCHEMBL16008376

COC(=O)c1cc2cccc(F)c2c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.46
SRC P12931 3/20 0.46
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.43
PARP1 P09874 1/20 0.42
XDH P47989 3/20 0.42
MMP13 P45452 1/20 0.42
DAO P14920 1/20 0.40
DDO Q99489 1/20 0.40
ALPL P05186 3/20 0.39
HRH4 Q9H3N8 2/20 0.38
FLT3 P36888 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL16009066 0.83 GLA (0.56) ABL1SRCGAAGLAKDM4E
SCHEMBL16008530 0.82 HSD17B10 (0.49) KDM4EPARP1DAODDOFLT3
SCHEMBL16008603 0.81 DAO (0.43) PARP1DAODDOHRH4FLT3
SCHEMBL1872809 0.76 KDM4E (0.53) GAAGLAKDM4ECYP1A2PARP1
SCHEMBL30853483 0.76 KDM4E (0.53) GAAGLAKDM4ECYP1A2PARP1
SCHEMBL29914966 0.73 PARP1 (0.54) GAAKDM4ECYP1A2PARP1DAO
SCHEMBL13064936 0.73 ALDH1A1 (0.57) GAAGLAKDM4ECYP1A2MMP13
SCHEMBL14743565 0.72 CYP1A2 (0.44) ABL1SRCGAAGLAKDM4E
SCHEMBL2323348 0.72 FLT3 (0.59) GAAGLACYP1A2XDHDAO
SCHEMBL17362802 0.71 CYP1A2 (0.49) ABL1SRCGAAGLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 US disclosed
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-07-25 US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-3235814-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2018-12-12 EP disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA, INC. 2018-01-18 US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
US-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US disclosed
US-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA CALIFORNIA INC. 2016-10-27 US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9402841-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
WO-2014164558-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-09 WO disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 US disclosed
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-11 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 (5 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-20160310483-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 ABL1 14/4885SRC 168/4885GAA 3316/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 ABL1 14/4885SRC 168/4885GAA 3316/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 ABL1 14/4885SRC 168/4885GAA 3316/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 ABL1 14/4885SRC 168/4885GAA 3316/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 ABL1 14/4885SRC 168/4885GAA 3316/4885

“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.