SCHEMBL4792561

SCHEMBL4792561

CNc1ncc2cc(-c3c(C)ccc4c(Nc5cccc(Br)c5)nn(C)c34)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.51
BRAF P15056 5/20 0.51
KDR P35968 6/20 0.51
MAPK14 Q16539 5/20 0.51
TEK Q02763 2/20 0.51
EGFR P00533 9/20 0.46
JAK3 P52333 2/20 0.40
BTK Q06187 1/20 0.39
ERBB2 P04626 2/20 0.39
EPHB2 P29323 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNK2 Q07912 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MAP3K5 Q99683 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
SCHEMBL11889221 0.91 LCK (0.53) LCKBRAFKDRMAPK14TEK
SCHEMBL11889537 0.90 LCK (0.58) LCKBRAFKDRMAPK14TEK
SCHEMBL11889057 0.88 LCK (0.58) LCKBRAFKDRMAPK14TEK
SCHEMBL11889313 0.88 LCK (0.50) LCKBRAFKDRMAPK14TEK
SCHEMBL11889279 0.88 LCK (0.50) LCKBRAFKDRMAPK14TEK
SCHEMBL11889291 0.87 LCK (0.49) LCKBRAFKDRMAPK14TEK
SCHEMBL11889485 0.87 LCK (0.49) LCKBRAFKDRMAPK14TEK
SCHEMBL11889404 0.87 LCK (0.49) LCKBRAFKDRMAPK14TEK
SCHEMBL2264973 0.87 LCK (0.55) LCKBRAFKDRMAPK14TEK
SCHEMBL5470763 0.87 LCK (0.54) LCKBRAFKDRMAPK14TEK

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-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP 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 (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-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 LCK 392/4885BRAF 1/4885KDR 578/4885

“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.