SCHEMBL2190254

SCHEMBL2190254

CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc(N)cc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.57
KDR P35968 5/20 0.53
CYP2C9 P11712 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL2857455 0.87 BRAF (0.68) BRAFCYP2C9
SCHEMBL826173 0.86 BRAF (0.56) BRAFKDRCYP2C9
SCHEMBL2197270 0.86 BRAF (0.54) BRAFKDRCYP2C9
SCHEMBL2851320 0.86 BRAF (0.60) BRAFKDRCYP2C9MEN1KMT2A
SCHEMBL2192214 0.86 FFAR1 (0.67) BRAFKDRCYP2C9MEN1KMT2A
SCHEMBL2197262 0.86 BRAF (0.59) BRAFCYP2C9
SCHEMBL2191947 0.86 BRAF (0.52) BRAFCYP2C9
SCHEMBL2195132 0.85 BRAF (0.54) BRAFKDRCYP2C9
SCHEMBL826510 0.85 BRAF (0.57) BRAFKDRCYP2C9
SCHEMBL2852440 0.84 PTGS1 (0.67) BRAFCYP2C9

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 843/4885CYP2C9 1933/4885

“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.