SCHEMBL2860043

SCHEMBL2860043

Cc1ccc(NC(=O)O)cc1Oc1ccc2nc(N)nn2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.52
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
PDGFRB P09619 2/20 0.37
AURKA O14965 1/20 0.37
KIT P10721 1/20 0.37
BRAF P15056 1/20 0.37
FLT1 P17948 1/20 0.37
PIK3CA P42336 2/20 0.36
S1PR2 O95136 1/20 0.36
MET P08581 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL13636133 0.88 KDR (0.48) KDRLMNARXFP1MAPTTP53
SCHEMBL2858588 0.82 KDR (0.50) KDRPDGFRBAURKAKITBRAF
SCHEMBL4280681 0.82 KDR (0.57) KDRPDGFRBAURKAKITBRAF
SCHEMBL2860144 0.81 KDR (0.77) KDRPDGFRBAURKAKITBRAF
SCHEMBL3511565 0.81 KDR (0.40) KDRPIK3CAKMT2APIK3CDPIK3CB
SCHEMBL4282178 0.79 BRAF (0.52) KDRBRAF
SCHEMBL4286488 0.75 KDR (0.51) KDRLMNARXFP1TP53PDGFRB
SCHEMBL4285985 0.75 KDR (0.45) KDRPDGFRBAURKAKITBRAF
SCHEMBL9997048 0.74 PIK3CG (0.47) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2860429 0.73 CDK8 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (1 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885LMNA 3695/4885RXFP1 641/4885

“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.