SCHEMBL12465189

SCHEMBL12465189

COC(=O)Nc1ncc(-c2cn(-c3cc(NC(=O)c4cc(CN(C)C)cc(C(F)(F)F)c4)ccc3C)nn2)s1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.45
RAF1 P04049 10/20 0.45
GPR142 Q7Z601 1/20 0.43
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40

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
SCHEMBL12465271 0.94 BRAF (0.43) BRAFRAF1
SCHEMBL12465168 0.93 BRAF (0.46) BRAFRAF1GPR142ABL1BCR
SCHEMBL12397504 0.92 GPR142 (0.48) BRAFGPR142ABL1BCR
SCHEMBL12465132 0.90 GPR142 (0.43) BRAFGPR142ABL1BCR
SCHEMBL12465135 0.89 ABL1 (0.48) ABL1BCR
SCHEMBL12465270 0.87 BRAF (0.44) BRAFRAF1
SCHEMBL13960864 0.85 RAF1 (0.44) BRAFRAF1
SCHEMBL12397470 0.85 GPR142 (0.49) BRAFGPR142ABL1BCR
SCHEMBL12465130 0.83 GPR142 (0.43) BRAFGPR142ABL1BCR
SCHEMBL17612930 0.82 BRAF (0.39) BRAFGPR142ABL1BCR

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 525/4885RAF1 394/4885GPR142 3760/4885

“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.