SCHEMBL823544

SCHEMBL823544

CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)sc4c3C#N)ccc2F)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.64
KDR P35968 14/20 0.64
IKBKB O14920 2/20 0.62
RAF1 P04049 2/20 0.62
CDK1 P06493 2/20 0.62
PDGFRB P09619 2/20 0.62
FGFR3 P22607 2/20 0.62
MAP2K1 Q02750 2/20 0.62
TEK Q02763 2/20 0.62
MAPK14 Q16539 2/20 0.62
AURKB Q96GD4 2/20 0.62
CHEK1 O14757 1/20 0.62
PDGFA P04085 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNA2 P20248 1/20 0.62
CDK2 P24941 1/20 0.62
GSK3B P49841 1/20 0.62
RIPK1 Q13546 1/20 0.62
RIPK3 Q9Y572 1/20 0.62
ERBB2 P04626 1/20 0.54

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
SCHEMBL10265995 0.94 BRAF (0.64) BRAFKDRIKBKBRAF1CDK1
SCHEMBL15139584 0.93 BRAF (0.57) BRAFKDRIKBKBRAF1CDK1
SCHEMBL823625 0.92 BRAF (0.52) BRAFKDRIKBKBRAF1CDK1
SCHEMBL823621 0.91 BRAF (0.54) BRAFKDRIKBKBRAF1CDK1
SCHEMBL823530 0.90 KDR (0.74) BRAFKDRIKBKBRAF1CDK1
SCHEMBL827616 0.90 BRAF (0.61) BRAFKDRIKBKBRAF1CDK1
SCHEMBL2856506 0.86 KDR (0.74) BRAFKDRIKBKBRAF1CDK1
SCHEMBL827755 0.85 BRAF (0.53) BRAFKDRIKBKBRAF1CDK1
SCHEMBL2332049 0.85 BRAF (0.61) BRAFKDRIKBKBRAF1CDK1
SCHEMBL827451 0.85 BRAF (0.53) BRAFKDRIKBKBRAF1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US claimed
EP-2358689-B9 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2016-08-03 EP disclosed
EP-2358689-B1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-8497274-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-30 US disclosed
US-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
US-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 US disclosed
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
US-8143258-B2 Benzothiazole compounds useful for Raf inhibition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-27 US disclosed
EP-2358689-A1 Benzothiazole derivatives as anticancer agents Takeda Pharmaceutical Company Limited (JP) 2011-08-24 EP disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010064722-A1 BENZOTHIAZOLE DERIVATIVES AS ANTICANCER AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 WO 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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885IKBKB 197/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885IKBKB 197/4885

“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.