SCHEMBL12397281

SCHEMBL12397281

COc1c(CN2C(C)CCC2C)cc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)c(-n2cc(-c3cnn(C)c3C)nn2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.40
BCR P11274 7/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
BRAF P15056 9/20 0.37
GPR142 Q7Z601 1/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL12397363 0.90 ABL1 (0.44) ABL1BCRBRAF
SCHEMBL12397372 0.90 ABL1 (0.42) ABL1BCRABCG2BRAFGPR142
SCHEMBL12397355 0.90 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12397347 0.90 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12397291 0.89 ABL1 (0.51) ABL1BCR
SCHEMBL12464981 0.89 ABL1 (0.40) ABL1BCRABCG2BRAFGPR142
SCHEMBL12464937 0.88 ABCG2 (0.40) ABL1BCRABCG2BRAFGPR142
SCHEMBL12397339 0.88 BRAF (0.41) ABL1BCRABCG2BRAFGPR142
SCHEMBL12397366 0.88 ABL1 (0.40) ABL1BCRABCG2BRAFGPR142
SCHEMBL17612970 0.87 BRAF (0.38) ABL1BRAFMAPTCYP1A2CYP3A4

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 ABL1 136/4885BCR 922/4885ABCG2 183/4885

“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.