SCHEMBL2519930

SCHEMBL2519930

CNc1cc(-c2cccnc2Nc2c(C)ccc3c(Nc4cc(Cl)ccc4F)nccc23)ncn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.77
LCK P06239 7/20 0.77
TEK Q02763 7/20 0.77
KDR P35968 5/20 0.77
MAPK14 Q16539 2/20 0.62
RAF1 P04049 5/20 0.48
FGFR4 P22455 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
GRM4 Q14833 2/20 0.38
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CYP3A4 P08684 1/20 0.36
CSF1R P07333 3/20 0.36

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
SCHEMBL11889053 0.89 TEK (0.66) BRAFLCKTEKKDRMAPK14
SCHEMBL2517955 0.87 BRAF (1.00) BRAFLCKTEKKDRMAPK14
SCHEMBL2516186 0.87 BRAF (0.71) BRAFLCKTEKKDRMAPK14
SCHEMBL2514587 0.87 BRAF (0.82) BRAFLCKTEKKDRMAPK14
SCHEMBL2521180 0.86 BRAF (0.75) BRAFLCKTEKKDRMAPK14
SCHEMBL11889511 0.86 BRAF (0.83) BRAFLCKTEKKDRMAPK14
SCHEMBL11889179 0.85 BRAF (0.79) BRAFLCKTEKKDRMAPK14
SCHEMBL22025873 0.85 BRAF (0.66) BRAFLCKTEKKDRMAPK14
SCHEMBL2262883 0.84 BRAF (0.77) BRAFLCKTEKKDRMAPK14
SCHEMBL2517832 0.83 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 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 1/4885LCK 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.