SCHEMBL12397458

SCHEMBL12397458

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

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
GPR142 Q7Z601 2/20 0.44
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL12397034 0.94 BRAF (0.46) BRAFGPR142ABL1BCR
SCHEMBL12397018 0.92 GPR142 (0.45) BRAFGPR142ABL1BCR
SCHEMBL12397028 0.91 BRAF (0.47) BRAFGPR142ABL1BCR
SCHEMBL12397039 0.90 BRAF (0.44) BRAFGPR142ABL1BCR
SCHEMBL12465245 0.89 GPR142 (0.45) BRAFGPR142ABL1BCR
SCHEMBL12396931 0.89 BRAF (0.42) BRAFGPR142ABL1BCR
SCHEMBL12464995 0.89 GPR142 (0.46) BRAFGPR142ABL1BCRABCG2
SCHEMBL12465240 0.88 GPR142 (0.45) BRAFGPR142ABL1BCR
SCHEMBL12397784 0.88 BRAF (0.46) BRAFGPR142ABL1BCRABCG2
SCHEMBL12464996 0.88 BRAF (0.48) BRAFGPR142ABL1BCR

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 525/4885GPR142 3760/4885ABL1 136/4885

“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.