SCHEMBL826801

SCHEMBL826801

N#Cc1c(Oc2ccc(F)c(NC(=O)C(F)(F)F)c2)ccc2nc(N)sc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.56
KDR P35968 11/20 0.56
TEK Q02763 2/20 0.53
CHEK1 O14757 1/20 0.53
IKBKB O14920 1/20 0.53
RAF1 P04049 1/20 0.53
PDGFA P04085 1/20 0.53
CDK1 P06493 1/20 0.53
PDGFRB P09619 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNA2 P20248 1/20 0.53
FGFR3 P22607 1/20 0.53
CDK2 P24941 1/20 0.53
GSK3B P49841 1/20 0.53
MAP2K1 Q02750 1/20 0.53
RIPK1 Q13546 1/20 0.53
MAPK14 Q16539 1/20 0.53
AURKB Q96GD4 1/20 0.53
RIPK3 Q9Y572 1/20 0.53
ACACB O00763 2/20 0.37

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
SCHEMBL825993 0.88 BRAF (0.61) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826217 0.86 BRAF (0.42) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826462 0.85 BRAF (0.76) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826877 0.84 BRAF (0.58) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826332 0.82 BRAF (0.80) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826091 0.76 PLA2G7 (0.44) BRAFKDR
SCHEMBL826155 0.75 BRAF (0.53) BRAFKDRTEKCHEK1IKBKB
SCHEMBL826246 0.73 BRAF (0.67) BRAFKDRTEKCHEK1IKBKB
SCHEMBL823624 0.72 BRAF (1.00) BRAFKDRTEKCHEK1IKBKB
SCHEMBL10265910 0.72 BRAF (0.59) BRAFKDRTEKCHEK1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053630-B Benzothiazole derivative and application thereof 中国人民解放军第二军医大学 2022-04-01 CN disclosed
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-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-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 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-20120214855-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885TEK 4399/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 1130/4885TEK 4399/4885

“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.