SCHEMBL12465331

SCHEMBL12465331

Cc1ccc(NC(=O)c2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.55
BCR P11274 12/20 0.55
TEK Q02763 1/20 0.54
BRAF P15056 6/20 0.52
DDR1 Q08345 1/20 0.51
DDR2 Q16832 1/20 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
SCHEMBL12465136 0.93 TEK (0.62) ABL1BCRTEKBRAF
SCHEMBL12397175 0.91 BRAF (0.57) ABL1BCRBRAFDDR1DDR2
SCHEMBL12465129 0.90 ABL1 (0.53) ABL1BCRTEKBRAF
SCHEMBL17612947 0.88 ABL1 (0.52) ABL1BCRTEKBRAF
SCHEMBL12465010 0.88 BRAF (0.70) BRAF
SCHEMBL12464983 0.88 ABL1 (0.50) ABL1BCRTEKBRAF
SCHEMBL12464990 0.87 BRAF (0.51) ABL1BCRTEKBRAF
SCHEMBL12465159 0.87 BRAF (0.52) ABL1BCRTEKBRAF
SCHEMBL12465175 0.86 ABL1 (0.51) ABL1BCRTEK
SCHEMBL12465008 0.86 ABL1 (0.52) ABL1BCRTEK

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 2 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

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 922/4885TEK 2767/4885

“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.