SCHEMBL16611684

SCHEMBL16611684

COc1nccc2c1c(-c1ccc(C(=O)O)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.43
RARG P13631 3/20 0.41
PTGER1 P34995 1/20 0.39
TTR P02766 1/20 0.39
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
NEK2 P51955 1/20 0.34

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
SCHEMBL16610536 0.89 BRAF (0.39) PTGER1ATM
SCHEMBL16611134 0.87 FFAR4 (0.36) RORCPTGER1CCNA2CDK2FFAR4
SCHEMBL16611049 0.82 PTGS2 (0.43)
SCHEMBL16611570 0.81 PPARD (0.38) PTGER1CDK2FFAR4
SCHEMBL16611334 0.81 RORC (0.46) RORCRARGTTR
SCHEMBL16610973 0.80 PIK3CG (0.37) CCNA2CDK2
SCHEMBL16610686 0.79 MAPK1 (0.39) CDK2
SCHEMBL16610962 0.79 MAP4K1 (0.41) CCNA2CDK2HPGD
SCHEMBL16610798 0.79 LRRK2 (0.35) PTGER1CCNA2CDK2
SCHEMBL16611191 0.79 KDR (0.38) PTGER1FFAR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885RARG 695/4885PTGER1 1116/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RORC 538/4885RARG 695/4885PTGER1 1116/4885

“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.