SCHEMBL12464989

SCHEMBL12464989

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.44
ABCG2 Q9UNQ0 1/20 0.39
ABL1 P00519 4/20 0.38
BCR P11274 4/20 0.38
GPR142 Q7Z601 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 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
SCHEMBL12465241 0.93 BRAF (0.47) BRAFABCG2ABL1BCRGPR142
SCHEMBL12464937 0.93 ABCG2 (0.40) BRAFABCG2ABL1BCRGPR142
SCHEMBL12464981 0.90 ABL1 (0.40) BRAFABCG2ABL1BCRGPR142
SCHEMBL13436173 0.89 BRAF (0.44) BRAFABCG2ABL1BCRGPR142
SCHEMBL12397366 0.89 ABL1 (0.40) BRAFABCG2ABL1BCRGPR142
SCHEMBL12397347 0.89 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397355 0.89 ABL1 (0.46) BRAFABL1BCR
SCHEMBL12397370 0.88 ABL1 (0.39) BRAFABCG2ABL1BCRGPR142
SCHEMBL12465281 0.87 BRAF (0.41) BRAFABL1BCRGPR142
SCHEMBL12397291 0.87 ABL1 (0.51) ABL1BCR

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 BRAF 525/4885ABCG2 183/4885ABL1 136/4885

“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.