SCHEMBL3675993

SCHEMBL3675993

Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.54
RAF1 P04049 1/20 0.54
LCK P06239 7/20 0.54
TEK Q02763 7/20 0.54
KDR P35968 5/20 0.54
PIK3CA P42336 6/20 0.43
PIK3CB P42338 6/20 0.43
PIK3CG P48736 6/20 0.43
PIK3CD O00329 5/20 0.43
MAPK14 Q16539 2/20 0.40
MTOR P42345 2/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MAPK1 P28482 1/20 0.35
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL13979292 0.86 BRAF (0.61) BRAFRAF1LCKTEKKDR
SCHEMBL3645004 0.85 BRAF (0.55) BRAFRAF1LCKTEKKDR
SCHEMBL3643409 0.82 BRAF (0.64) BRAFRAF1LCKTEKKDR
SCHEMBL3768730 0.80 BRAF (0.66) BRAFRAF1LCKTEKKDR
SCHEMBL3770455 0.78 BRAF (0.51) BRAFRAF1LCKTEKKDR
Ammonia Solution, Strong SCHEMBL3776283 0.77 BRAF (0.55) BRAFRAF1LCKTEKKDR
SCHEMBL2268467 0.75 TEK (0.76) BRAFRAF1LCKTEKKDR
SCHEMBL2262883 0.75 BRAF (0.77) BRAFRAF1LCKTEKKDR
SCHEMBL3637714 0.74 BRAF (0.53) BRAFRAF1LCKTEKKDR
SCHEMBL23015906 0.72 BRAF (0.56) BRAFRAF1LCKTEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2014-01-02 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557830-B2 RAF kinase modulators and methods of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US disclosed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO disclosed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO 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-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885LCK 337/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885LCK 353/4885

“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.