SCHEMBL16611570

SCHEMBL16611570

COc1nccc2c1c(-c1cccc(CC(=O)O)c1)nn2-c1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.38
PPARA Q07869 1/20 0.38
CDK9 P50750 1/20 0.37
SRC P12931 1/20 0.36
SYK P43405 1/20 0.36
CDK2 P24941 1/20 0.35
PTGER1 P34995 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
PTGS2 P35354 1/20 0.34
BUB1 O43683 1/20 0.34
FFAR1 O14842 3/20 0.34
FFAR4 Q5NUL3 2/20 0.34
ROCK2 O75116 1/20 0.34
CYP3A4 P08684 1/20 0.34
PRKACA P17612 1/20 0.34
ROCK1 Q13464 1/20 0.34
WNT3A P56704 1/20 0.34
DGAT1 O75907 1/20 0.34
PLAU P00749 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL16611134 0.90 FFAR4 (0.36) PPARDPPARASRCCDK2PTGER1
SCHEMBL16611034 0.88 SRC (0.39) SRCCDK2
SCHEMBL16611229 0.86 LRRK2 (0.33) CDK2
SCHEMBL16611438 0.85 HTR7 (0.38) CDK2ROCK2CYP3A4ROCK1
SCHEMBL16611506 0.84 PIK3CG (0.41) SRC
SCHEMBL16611422 0.83 LRRK2 (0.38) PTGS2FFAR1DHODH
SCHEMBL16610852 0.82 CNR1 (0.43)
SCHEMBL16610798 0.81 LRRK2 (0.35) CDK2PTGER1
SCHEMBL16610536 0.77 BRAF (0.39) PTGER1ROCK2PRKACAROCK1
SCHEMBL16611191 0.77 KDR (0.38) PTGER1FFAR4ROCK2CYP3A4PRKACA

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 PPARD 293/4885PPARA 253/4885CDK9 343/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PPARD 293/4885PPARA 253/4885CDK9 343/4885

“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.