SCHEMBL2851815

SCHEMBL2851815

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)nn2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.64
BRAF P15056 9/20 0.54
AURKA O14965 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
FLT1 P17948 1/20 0.54
CYP2C9 P11712 1/20 0.47
JAK1 P23458 1/20 0.46

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
SCHEMBL13185030 0.91 KDR (0.67) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2855444 0.90 KDR (0.68) KDRBRAFAURKAPDGFRBKIT
SCHEMBL2852176 0.90 KDR (0.64) KDRBRAFAURKAPDGFRBKIT
SCHEMBL4284812 0.89 KDR (0.49) KDRBRAFCYP2C9
SCHEMBL4291675 0.88 BRAF (0.56) KDRBRAFCYP2C9
SCHEMBL4281923 0.87 BRAF (0.56) KDRBRAFCYP2C9
SCHEMBL4288871 0.87 KDR (0.47) KDRBRAFCYP2C9
SCHEMBL2512821 0.86 KDR (0.64) KDRBRAFAURKAPDGFRBKIT
SCHEMBL4282178 0.86 BRAF (0.52) KDRBRAFCYP2C9
SCHEMBL4291695 0.86 KDR (0.48) KDRBRAFCYP2C9

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 11 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-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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
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 (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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 KDR 983/4885BRAF 1/4885AURKA 1307/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885BRAF 1364/4885AURKA 3114/4885

“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.