SCHEMBL2517827

SCHEMBL2517827

Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)nccc2c1Nc1ncccc1-c1ccncn1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TEK Q02763 13/20 0.77
KDR P35968 12/20 0.77
BRAF P15056 9/20 0.77
LCK P06239 8/20 0.77
MAPK14 Q16539 3/20 0.54
RAF1 P04049 1/20 0.41
DDR1 Q08345 1/20 0.39
FLT1 P17948 1/20 0.39
PIK3CA P42336 1/20 0.39
EPHX2 P34913 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL2268470 0.88 BRAF (0.70) TEKKDRBRAFLCKMAPK14
SCHEMBL2517333 0.87 TEK (0.70) TEKKDRBRAFLCKMAPK14
SCHEMBL2264176 0.87 TEK (1.00) TEKKDRBRAFLCKMAPK14
SCHEMBL2261239 0.84 TEK (0.76) TEKKDRBRAFLCKMAPK14
SCHEMBL4792941 0.84 TEK (0.83) TEKKDRBRAFLCKMAPK14
SCHEMBL2521526 0.82 TEK (0.73) TEKKDRBRAFLCKMAPK14
SCHEMBL2262420 0.82 TEK (0.73) TEKKDRBRAFLCKMAPK14
SCHEMBL2265173 0.82 TEK (0.78) TEKKDRBRAFLCKMAPK14
SCHEMBL2515742 0.82 TEK (0.72) TEKKDRBRAFLCKMAPK14
Lut-014 SCHEMBL22356326 0.81 BRAF (0.53) TEKKDRBRAFLCKMAPK14

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
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US claimed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP claimed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US claimed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US claimed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 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 (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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS TEK 2662/4885KDR 572/4885BRAF 1/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 TEK 2625/4885KDR 578/4885BRAF 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.