SCHEMBL10129944

SCHEMBL10129944

CCCS(=O)(=O)Nc1ccc(F)c(-n2cc(-c3cncc(N(C)CCN4CCOCC4)c3)nn2)c1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.47
CYP2C19 P33261 1/20 0.42
RAF1 P04049 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAP3K20 Q9NYL2 3/20 0.38

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
SCHEMBL10129928 0.85 BRAF (0.54) BRAFMAP3K20
SCHEMBL14317723 0.84 BRAF (0.51) BRAFRAF1MAP3K20
SCHEMBL10129575 0.80 BRAF (0.51) BRAFRAF1MAP3K20
SCHEMBL10129920 0.80 BRAF (0.59) BRAFCYP2C19CYP2C9CYP3A4MAP3K20
SCHEMBL10129954 0.80 BRAF (0.56) BRAFRAF1MAP3K20
SCHEMBL16573187 0.80 BRAF (0.50) BRAFRAF1MAP3K20
SCHEMBL14316922 0.79 BRAF (0.58) BRAFCYP2C19CYP2C9CYP3A4MAP3K20
SCHEMBL14317716 0.79 BRAF (0.47) BRAFRAF1MAP3K20
SCHEMBL10129582 0.78 BRAF (0.57) BRAFCYP2C19CYP2C9CYP3A4MAP3K20
SCHEMBL10129589 0.78 BRAF (0.51) BRAFRAF1MAP3K20

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
EP-2655355-B1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-03-18 EP disclosed
US-8710055-B2 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-29 US disclosed
US-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012085127-A1 NEW TRIAZOLYLPHENYL SULFONAMIDES AS SERINE/THREONINE KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120322803-A1 Triazolylphenyl sulfonamides as serine/threonine kinase inhibitors CDK2, TNNI3K, CDK1 BRAF 16/4885CYP2C19 4147/4885RAF1 30/4885

“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.