SCHEMBL16008530

SCHEMBL16008530

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
DAO P14920 4/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
SRD5A2 P31213 1/20 0.49
ALDH1A1 P00352 3/20 0.45
APEX1 P27695 2/20 0.45
NFKB1 P19838 2/20 0.45
LMNA P02545 2/20 0.45
PDPK1 O15530 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DDO Q99489 2/20 0.44
USP2 O75604 1/20 0.44
PARP1 P09874 1/20 0.43
EIF4A3 P38919 2/20 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
SCHEMBL16008603 0.86 DAO (0.43) DAODDOPARP1FLT3
SCHEMBL16008376 0.82 ABL1 (0.46) DAOKDM4ELMNADDOPARP1
SCHEMBL1145013 0.78 HPGD (0.60) HSD17B10DAOHPGDKDM4EMAPT
SCHEMBL23303458 0.76 FFAR1 (0.41) HSD17B10DAOKDM4EAPEX1MEN1
SCHEMBL29914966 0.75 PARP1 (0.54) DAOKDM4EMAPTKMT2ADDO
SCHEMBL26017744 0.75 DAO (0.47) DAODDOPARP1
SCHEMBL9452298 0.74 HPGD (0.57) HSD17B10DAOHPGDKDM4EMAPT
SCHEMBL2815600 0.73 HPGD (0.62) HSD17B10DAOHPGDKDM4EMAPT
SCHEMBL29430150 0.73 HPGD (0.62) HSD17B10DAOHPGDKDM4EMAPT
SCHEMBL30494448 0.72 HPGD (0.53) HSD17B10DAOHPGDKDM4EMAPT

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 10 patents. 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-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-9801872-B2 Pyridinyl and fused pyridinyl triazolone derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-31 US disclosed
EP-3235814-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2017-10-25 EP disclosed
EP-2970202-B1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES TAKEDA PHARMACEUTICALS CO (JP) 2017-02-01 EP 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-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 HSD17B10 4321/4885DAO 4538/4885HPGD 2511/4885
US-20180015083-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 HSD17B10 4321/4885DAO 4538/4885HPGD 2511/4885
US-20190224190-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 HSD17B10 4321/4885DAO 4538/4885HPGD 2511/4885
US-20140256734-A1 PYRIDINYL AND FUSED PYRIDINYL TRIAZOLONE DERIVATIVES BTK, LCK, TYK2 HSD17B10 4321/4885DAO 4538/4885HPGD 2511/4885
US-10307414-B2 Pyridinyl and fused pyridinyl triazolone derivatives BTK, LCK, TYK2 HSD17B10 4321/4885DAO 4538/4885HPGD 2511/4885

“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.