SCHEMBL10129595

SCHEMBL10129595

COc1cncc(-c2cn(-c3c(Cl)ccc(Br)c3F)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.52
CYP1B1 Q16678 1/20 0.43
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 1/20 0.36
PTGS2 P35354 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
CYP11B2 P19099 7/20 0.36
CYP11B1 P15538 6/20 0.36
CYP17A1 P05093 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
MAP3K20 Q9NYL2 6/20 0.34
METTL3 Q86U44 1/20 0.34
METTL14 Q9HCE5 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33

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
SCHEMBL10129593 0.89 BRAF (0.64) BRAFCYP1B1CA1CA2CA5A
SCHEMBL10129585 0.87 BRAF (0.52) BRAFCYP1B1CA1CA2CA5A
SCHEMBL10130003 0.80 BRAF (0.66) BRAFMAP3K20
SCHEMBL10129996 0.79 BRAF (0.84) BRAFMAP3K20
SCHEMBL10129997 0.78 BRAF (0.63) BRAFMAP3K20
SCHEMBL14316924 0.77 BRAF (0.64) BRAFMAP3K20
SCHEMBL10129586 0.76 BRAF (0.64) BRAFCYP1B1CA1CA2CA5A
SCHEMBL14299601 0.69 BRAF (0.55) BRAFCYP1B1MAP3K20STIM1ORAI1
SCHEMBL10129923 0.69 BRAF (1.00) BRAFMAP3K20
SCHEMBL10129929 0.68 BRAF (0.63) BRAFMAP3K20

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 6 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-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
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 16/4885CYP1B1 3693/4885CA1 2700/4885

“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.