SCHEMBL823554

SCHEMBL823554

COC(=O)c1c(Oc2ccc(F)c(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2nc(NC(=O)C3CC3)sc12

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 14/20 0.78
RIPK3 Q9Y572 7/20 0.78
BRAF P15056 7/20 0.78
CHEK1 O14757 1/20 0.78
IKBKB O14920 1/20 0.78
RAF1 P04049 1/20 0.78
PDGFA P04085 1/20 0.78
CDK1 P06493 1/20 0.78
PDGFRB P09619 1/20 0.78
CCNB1 P14635 1/20 0.78
CCNA2 P20248 1/20 0.78
FGFR3 P22607 1/20 0.78
CDK2 P24941 1/20 0.78
KDR P35968 1/20 0.78
GSK3B P49841 1/20 0.78
MAP2K1 Q02750 1/20 0.78
TEK Q02763 1/20 0.78
MAPK14 Q16539 1/20 0.78
AURKB Q96GD4 1/20 0.78

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
SCHEMBL823638 0.94 RIPK1 (0.81) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL22275546 0.90 RIPK1 (0.82) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL28496454 0.89 RIPK1 (0.81) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL826719 0.88 BRAF (0.61) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL823682 0.88 BRAF (1.00) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL25412537 0.85 RIPK1 (1.00) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL30358255 0.85 RIPK1 (1.00) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL2453182 0.83 RIPK1 (0.80) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL29025431 0.82 RIPK1 (0.94) RIPK1RIPK3BRAFCHEK1IKBKB
SCHEMBL29025422 0.82 RIPK1 (0.93) RIPK1RIPK3BRAFCHEK1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 RIPK1 736/4885RIPK3 700/4885BRAF 1/4885
US-20100216810-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 RIPK1 736/4885RIPK3 700/4885BRAF 1/4885

“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.