SCHEMBL3638291

SCHEMBL3638291

Cc1ccc2c(Nc3ccc(C#N)cc3)ncnc2c1Nc1ncccc1-c1ncnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.53
LCK P06239 4/20 0.53
TEK Q02763 4/20 0.53
TTBK1 Q5TCY1 5/20 0.50
TTBK2 Q6IQ55 5/20 0.50
RAF1 P04049 1/20 0.49
KDR P35968 9/20 0.48
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL2516044 0.91 BRAF (0.65) BRAFLCKTEKTTBK1TTBK2
SCHEMBL3642714 0.89 BRAF (0.54) BRAFLCKTEKTTBK1TTBK2
SCHEMBL3637714 0.87 BRAF (0.53) BRAFLCKTEKTTBK1RAF1
SCHEMBL11888975 0.81 TEK (0.63) BRAFLCKTEKTTBK1TTBK2
SCHEMBL3641104 0.80 BRAF (0.65) BRAFLCKTEKTTBK1TTBK2
SCHEMBL2524695 0.79 BRAF (0.82) BRAFLCKTEKRAF1KDR
SCHEMBL3638200 0.79 BRAF (0.63) BRAFLCKTEKTTBK1TTBK2
SCHEMBL3643409 0.78 BRAF (0.64) BRAFLCKTEKRAF1KDR
SCHEMBL3641288 0.77 BRAF (0.67) BRAFLCKTEKTTBK1TTBK2
SCHEMBL3772114 0.76 ALDH1A1 (0.54) BRAFLCKTEKRAF1KDR

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 14 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 claimed
US-20100324047-A1 RAF KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-12-23 US claimed
EP-2170887-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS Amgen Inc. (US) 2010-04-07 EP claimed
WO-2008153947-A2 HETEROCYCLIC COMPOUNDS AS RAF KINASE MODULATORS AMGEN INC. (US) 2008-12-18 WO claimed
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 1/4885LCK 337/4885TEK 1825/4885
US-20140005198-A1 RAF KINASE MODULATORS AND METHODS OF USE BRAF, RAF1, ARAF BRAF 1/4885LCK 353/4885TEK 2109/4885

“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.