SCHEMBL12397409

SCHEMBL12397409

COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(CN5CCCC5)c4OC)ccc3Cl)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.49
BCR P11274 7/20 0.49
BRAF P15056 12/20 0.46
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL12397411 0.94 ABL1 (0.47) ABL1BCRBRAFABCG2
SCHEMBL12397229 0.93 BRAF (0.54) ABL1BCRBRAF
SCHEMBL12397422 0.92 ABL1 (0.45) ABL1BCRBRAFABCG2
SCHEMBL12397697 0.91 BRAF (0.54) ABL1BCRBRAF
SCHEMBL12397416 0.89 ABCG2 (0.48) ABL1BCRBRAFABCG2
SCHEMBL12397405 0.87 BRAF (0.48) ABL1BCRBRAFABCG2
SCHEMBL12397413 0.87 ABCG2 (0.46) ABL1BCRBRAFABCG2
SCHEMBL12397383 0.87 ABL1 (0.50) ABL1BCRBRAFABCG2
SCHEMBL12397347 0.85 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL12397066 0.85 BRAF (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 922/4885BRAF 525/4885

“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.