SCHEMBL15869573

SCHEMBL15869573

COc1cncc(-c2cn(-c3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)cnc3C)nn2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.59
RAF1 P04049 3/20 0.48
CYP2C9 P11712 5/20 0.46
GPR142 Q7Z601 1/20 0.43

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
SCHEMBL12464988 0.90 BRAF (0.64) BRAFCYP2C9GPR142
SCHEMBL15869538 0.90 BRAF (0.49) BRAFRAF1CYP2C9GPR142
SCHEMBL13436438 0.89 BRAF (0.52) BRAFRAF1CYP2C9
SCHEMBL13436602 0.89 BRAF (0.49) BRAFRAF1CYP2C9
SCHEMBL13436434 0.89 GPR142 (0.45) BRAFGPR142
SCHEMBL13436439 0.89 BRAF (0.53) BRAFRAF1CYP2C9
SCHEMBL13436604 0.87 BRAF (0.47) BRAFRAF1CYP2C9
SCHEMBL13436204 0.85 BRAF (0.55) BRAFRAF1CYP2C9
SCHEMBL13436200 0.85 BRAF (0.57) BRAFRAF1CYP2C9
SCHEMBL13436597 0.85 BRAF (0.49) BRAFRAF1CYP2C9

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-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP claimed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US claimed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 BRAF 433/4885RAF1 388/4885CYP2C9 1081/4885

“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.