SCHEMBL12465129

SCHEMBL12465129

COc1cncc(-c2cn(-c3cc(NC(=O)c4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.53
BCR P11274 9/20 0.53
BRAF P15056 9/20 0.52
TEK Q02763 2/20 0.51

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
SCHEMBL12465338 0.94 TEK (0.58) ABL1BCRBRAFTEK
SCHEMBL12397249 0.92 BRAF (0.56) ABL1BCRBRAF
SCHEMBL12465331 0.90 ABL1 (0.55) ABL1BCRBRAFTEK
SCHEMBL12465173 0.89 BRAF (0.52) ABL1BCRBRAFTEK
SCHEMBL12465341 0.88 BRAF (0.51) ABL1BCRBRAF
SCHEMBL12465158 0.88 BRAF (0.52) BRAF
SCHEMBL12465010 0.87 BRAF (0.70) BRAF
SCHEMBL13436175 0.85 BRAF (0.46) ABL1BCRBRAF
SCHEMBL12397383 0.84 ABL1 (0.50) ABL1BCRBRAF
SCHEMBL12464983 0.84 ABL1 (0.50) ABL1BCRBRAFTEK

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 3 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-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
WO-2009003999-A2 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 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-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.