SCHEMBL2514587

SCHEMBL2514587

CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4ccc(F)c(Cl)c4)nccc23)ncn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.82
TEK Q02763 8/20 0.82
LCK P06239 7/20 0.82
KDR P35968 6/20 0.82
MAPK14 Q16539 2/20 0.69
RAF1 P04049 3/20 0.51
CSF1R P07333 1/20 0.49
DDR1 Q08345 1/20 0.49
DDR2 Q16832 1/20 0.49
EGFR P00533 6/20 0.42
FBP1 P09467 2/20 0.41
AURKA O14965 1/20 0.41
ERBB2 P04626 1/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
CLK1 P49759 1/20 0.41
EPHB4 P54760 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11889023 0.92 BRAF (0.83) BRAFTEKLCKKDRMAPK14
SCHEMBL11889300 0.90 BRAF (0.83) BRAFTEKLCKKDRMAPK14
SCHEMBL2517955 0.90 BRAF (1.00) BRAFTEKLCKKDRMAPK14
SCHEMBL11889511 0.89 BRAF (0.83) BRAFTEKLCKKDRMAPK14
SCHEMBL11889040 0.88 BRAF (0.74) BRAFTEKLCKKDRMAPK14
SCHEMBL11889333 0.88 BRAF (0.74) BRAFTEKLCKKDRMAPK14
SCHEMBL11889179 0.88 BRAF (0.79) BRAFTEKLCKKDRMAPK14
SCHEMBL11889331 0.87 BRAF (0.75) BRAFTEKLCKKDRMAPK14
SCHEMBL2519930 0.87 BRAF (0.77) BRAFTEKLCKKDRMAPK14
SCHEMBL2520976 0.87 BRAF (0.77) BRAFTEKLCKKDRMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRAF 1/4885TEK 2662/4885LCK 386/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 BRAF 1/4885TEK 2625/4885LCK 392/4885

“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.