SCHEMBL13436601

SCHEMBL13436601

Cc1cn2c(-c3cn(-c4cc(NC(=O)c5cc(N6CCN(C)CC6)c(C)c(C(F)(F)F)c5)cnc4C)nn3)cnc2cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.49
BCR P11274 15/20 0.49
BRAF P15056 3/20 0.42
TNK2 Q07912 1/20 0.39
MAP4K2 Q12851 1/20 0.39
GPR142 Q7Z601 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
SCHEMBL13436557 0.94 ABL1 (0.51) ABL1BCRBRAF
SCHEMBL13436554 0.83 BRAF (0.48) ABL1BCRBRAFMAP4K2GPR142
SCHEMBL13436567 0.78 ABL1 (0.52) ABL1BCRBRAF
SCHEMBL15869557 0.77 ABL1 (0.48) ABL1BCRBRAFGPR142
SCHEMBL2356823 0.77 ABL1 (0.47) ABL1BCRBRAF
SCHEMBL13436435 0.77 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL15869559 0.75 BRAF (0.54) BRAF
SCHEMBL13436587 0.75 ABL1 (0.51) ABL1BCR
SCHEMBL12465192 0.74 ABL1 (0.59) ABL1BCRBRAF
SCHEMBL13436168 0.73 ABL1 (0.52) 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 6 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
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 ABL1 234/4885BCR 641/4885BRAF 433/4885

“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.