SCHEMBL2192169

SCHEMBL2192169

COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(N)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.54
KDR P35968 5/20 0.54
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
SCD O00767 1/20 0.46
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2193478 0.91 BRAF (0.53) BRAFKDRCYP2C9
SCHEMBL2194047 0.89 BRAF (0.57) BRAFKDRRAB9AMAPTSCD
SCHEMBL2195229 0.87 BRAF (0.59) BRAFKDRRAB9AMAPTPOLB
SCHEMBL2194840 0.87 BRAF (0.71) BRAFKDRSCD
SCHEMBL2854386 0.86 BRAF (0.51) BRAFKDRCYP2C9
SCHEMBL2195132 0.84 BRAF (0.54) BRAFKDRPOLBCYP2C9
SCHEMBL2192601 0.84 BRAF (0.53) BRAFKDRRAB9AMAPTPOLB
SCHEMBL2193226 0.83 RAB9A (0.47) BRAFKDRRAB9AMAPTPOLB
SCHEMBL2192213 0.82 BRAF (0.47) BRAFKDRSCDALDH1A1CYP2C9
SCHEMBL2191163 0.82 ALDH1A1 (0.56) BRAFKDRPOLBSCDALDH1A1

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-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 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 (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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 843/4885RAB9A 382/4885

“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.