SCHEMBL2194840

SCHEMBL2194840

COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.71
KDR P35968 10/20 0.71
SCD O00767 3/20 0.50
AURKA O14965 1/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
FLT1 P17948 1/20 0.49
RIPK3 Q9Y572 4/20 0.49
RIPK1 Q13546 2/20 0.49
LCK P06239 1/20 0.47

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
SCHEMBL2191703 0.92 BRAF (0.69) BRAFKDRSCDAURKAPDGFRB
SCHEMBL2191173 0.90 KDR (0.76) BRAFKDRSCDAURKAPDGFRB
SCHEMBL2195229 0.89 BRAF (0.59) BRAFKDRSCD
SCHEMBL2855483 0.87 BRAF (0.65) BRAFKDRPDGFRBKITFLT1
SCHEMBL2192169 0.87 BRAF (0.54) BRAFKDRSCD
SCHEMBL2192601 0.86 BRAF (0.53) BRAFKDRSCD
SCHEMBL2191163 0.85 ALDH1A1 (0.56) BRAFKDRSCD
SCHEMBL2190544 0.85 BRAF (0.52) BRAFKDRSCDAURKAPDGFRB
SCHEMBL2197312 0.84 KDR (0.61) BRAFKDRSCDAURKAPDGFRB
SCHEMBL2195031 0.83 BRAF (0.73) BRAFKDRAURKAPDGFRBKIT

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
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-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
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 843/4885SCD 4583/4885

“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.