SCHEMBL12397706

SCHEMBL12397706

CC(=O)Nc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(CN5CCCC5)cc(C(F)(F)F)c4)ccc3C)nn2)cn1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 0.59
BCR P11274 15/20 0.59
BRAF P15056 4/20 0.53
KIT P10721 1/20 0.52
DDR1 Q08345 1/20 0.52
DDR2 Q16832 1/20 0.52

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
SCHEMBL12397175 0.90 BRAF (0.57) ABL1BCRBRAFKITDDR1
SCHEMBL12397542 0.88 ABL1 (0.56) ABL1BCRBRAFKITDDR1
SCHEMBL12397466 0.87 ABL1 (0.51) ABL1BCRBRAFKITDDR1
SCHEMBL12397581 0.86 ABL1 (0.69) ABL1BCR
SCHEMBL12397493 0.86 ABL1 (0.52) ABL1BCRBRAFKITDDR1
SCHEMBL12397249 0.85 BRAF (0.56) ABL1BCRBRAF
SCHEMBL12396960 0.84 ABL1 (0.52) ABL1BCRBRAFKITDDR1
SCHEMBL12396980 0.84 DDR2 (0.52) ABL1BCRBRAFKITDDR1
SCHEMBL12397120 0.83 ABL1 (0.52) ABL1BCRBRAFKITDDR1
SCHEMBL12397644 0.83 BRAF (0.69) 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.