SCHEMBL13436656

SCHEMBL13436656

CCNc1cc(NC(=O)c2cnc(C)c(-n3cc(-c4cnn(C)c4C)nn3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 3/20 0.42
ABL1 P00519 6/20 0.41
BCR P11274 6/20 0.41
TRPA1 O75762 5/20 0.41
BRAF P15056 5/20 0.40
CYP1A2 P05177 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL13436653 0.91 BRAF (0.50) GPR142ABL1BCRTRPA1BRAF
SCHEMBL2364698 0.90 GPR142 (0.44) GPR142ABL1BCRBRAFJUN
SCHEMBL2364887 0.89 GPR142 (0.43) GPR142ABL1BCRBRAFJUN
SCHEMBL13436652 0.89 GPR142 (0.43) GPR142ABL1BCRBRAF
SCHEMBL13436584 0.88 GPR142 (0.42) GPR142ABL1BCRBRAFJUN
SCHEMBL13436568 0.87 ABL1 (0.44) GPR142ABL1BCRBRAF
SCHEMBL13436581 0.87 BRAF (0.44) GPR142ABL1BCRBRAF
SCHEMBL13436565 0.87 GPR142 (0.44) GPR142ABL1BCRBRAFJUN
SCHEMBL2356199 0.86 GPR142 (0.40) GPR142ABL1BCRBRAF
SCHEMBL13436414 0.85 BRAF (0.48) ABL1BCRBRAF

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 9 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-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
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 3944/4885ABL1 234/4885BCR 641/4885

“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.