SCHEMBL12397339

SCHEMBL12397339

COc1c(CN2CC3CC2CN3C)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.41
ABL1 P00519 7/20 0.39
BCR P11274 7/20 0.39
ABCG2 Q9UNQ0 1/20 0.37
GPR142 Q7Z601 1/20 0.35

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
SCHEMBL12399406 0.94 BRAF (0.47) BRAFABL1BCRGPR142
SCHEMBL12397372 0.90 ABL1 (0.42) BRAFABL1BCRABCG2GPR142
SCHEMBL12397281 0.88 ABL1 (0.40) BRAFABL1BCRABCG2GPR142
SCHEMBL12397347 0.88 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397355 0.88 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397291 0.88 ABL1 (0.51) ABL1BCR
SCHEMBL12397363 0.87 ABL1 (0.44) BRAFABL1BCR
SCHEMBL12464937 0.87 ABCG2 (0.40) BRAFABL1BCRABCG2GPR142
SCHEMBL12397405 0.87 BRAF (0.48) BRAFABL1BCRABCG2
SCHEMBL12464981 0.86 ABL1 (0.40) BRAFABL1BCRABCG2GPR142

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173734-B1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 BRAF 525/4885ABL1 136/4885BCR 922/4885

“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.