SCHEMBL2519650

SCHEMBL2519650

CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4cccc(C#N)c4)nccc23)ncn1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.84
LCK P06239 7/20 0.84
TEK Q02763 7/20 0.84
KDR P35968 5/20 0.84
MAPK14 Q16539 2/20 0.84
RAF1 P04049 1/20 0.44
EGFR P00533 5/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
F9 P00740 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
SCHEMBL15215290 0.91 BRAF (1.00) BRAFLCKTEKKDRMAPK14
SCHEMBL2519224 0.91 BRAF (1.00) BRAFLCKTEKKDRMAPK14
SCHEMBL2518986 0.89 BRAF (0.80) BRAFLCKTEKKDRMAPK14
SCHEMBL2515737 0.89 BRAF (0.80) BRAFLCKTEKKDRMAPK14
SCHEMBL11889290 0.88 BRAF (0.79) BRAFLCKTEKKDRMAPK14
SCHEMBL11889113 0.88 BRAF (0.78) BRAFLCKTEKKDRMAPK14
SCHEMBL11888951 0.87 BRAF (0.84) BRAFLCKTEKKDRMAPK14
SCHEMBL11889511 0.87 BRAF (0.83) BRAFLCKTEKKDRMAPK14
SCHEMBL2520976 0.87 BRAF (0.77) BRAFLCKTEKKDRMAPK14
SCHEMBL2517832 0.86 BRAF (0.77) BRAFLCKTEKKDRMAPK14

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 9 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
EP-1976836-A2 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES Amgen Inc. (US) 2008-10-08 EP claimed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 US claimed
WO-2007076092-A2 NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC. (US) 2007-07-05 WO 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 BRAF 1/4885LCK 386/4885TEK 2662/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 BRAF 1/4885LCK 392/4885TEK 2625/4885

“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.