SCHEMBL13436595

SCHEMBL13436595

Cc1ncc(NC(=O)c2cc(OC(F)(F)F)cc(N3CCN(C)CC3)c2)cc1-n1cc(-c2cnn(C)c2C)nn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.46
BRAF P15056 11/20 0.43
ABL1 P00519 5/20 0.41
BCR P11274 4/20 0.41
KCNH2 Q12809 1/20 0.41
EGFR P00533 1/20 0.40
RAF1 P04049 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
SCHEMBL13436377 0.93 BRAF (0.47) GPR142BRAFABL1BCRRAF1
SCHEMBL13436371 0.93 BRAF (0.46) GPR142BRAFRAF1
SCHEMBL13436370 0.92 BRAF (0.46) GPR142BRAFABL1BCRRAF1
SCHEMBL12465274 0.91 BRAF (0.51) GPR142BRAFABL1BCR
SCHEMBL13436192 0.89 BRAF (0.47) BRAFABL1BCRRAF1
SCHEMBL13436375 0.88 BRAF (0.45) GPR142BRAFABL1BCR
SCHEMBL2302551 0.87 ABL1 (0.51) GPR142BRAFABL1BCRKCNH2
SCHEMBL12398214 0.86 GPR142 (0.56) GPR142BRAFABL1BCR
SCHEMBL15869562 0.86 GPR142 (0.57) GPR142BRAFRAF1
SCHEMBL13436376 0.86 GPR142 (0.46) GPR142BRAFABL1BCRKCNH2

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-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
CN-102227421-A Anti-proliferation compounds BOEHRINGER INGELHEIM INT 2011-10-26 CN 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
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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 GPR142 3944/4885BRAF 433/4885ABL1 234/4885

“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.