SCHEMBL2197262

SCHEMBL2197262

Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.59
CYP2C9 P11712 5/20 0.56
PTGS1 P23219 1/20 0.48
RAF1 P04049 1/20 0.48
YES1 P07947 1/20 0.48

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
SCHEMBL2195132 0.90 BRAF (0.54) BRAFCYP2C9PTGS1
SCHEMBL3640647 0.88 BRAF (0.72) BRAFCYP2C9
SCHEMBL2192812 0.87 BRAF (0.54) BRAFCYP2C9
SCHEMBL2853805 0.86 BRAF (0.65) BRAFCYP2C9RAF1YES1
SCHEMBL2190254 0.86 BRAF (0.57) BRAFCYP2C9
SCHEMBL2191947 0.84 BRAF (0.52) BRAFCYP2C9RAF1YES1
SCHEMBL2193478 0.84 BRAF (0.53) BRAFCYP2C9RAF1YES1
SCHEMBL4282178 0.83 BRAF (0.52) BRAFCYP2C9RAF1YES1
SCHEMBL1697887 0.82 BRAF (0.68) BRAFCYP2C9RAF1YES1
SCHEMBL3639216 0.82 BRAF (0.56) BRAFCYP2C9RAF1YES1

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 1/4885CYP2C9 1933/4885PTGS1 2828/4885

“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.