SCHEMBL10129586

SCHEMBL10129586

COc1cncc(-c2cn(-c3c(F)ccc(N)c3F)nn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.64
CYP1B1 Q16678 1/20 0.45
MAP3K20 Q9NYL2 12/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
PTGS2 P35354 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RIPK2 O43353 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FLT3 P36888 1/20 0.37
BLK P51451 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
STIM1 Q13586 2/20 0.37

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
SCHEMBL10129585 0.89 BRAF (0.52) BRAFCYP1B1MAP3K20CYP11B1CYP11B2
SCHEMBL10129593 0.87 BRAF (0.64) BRAFCYP1B1MAP3K20CYP11B1CYP11B2
SCHEMBL14299601 0.78 BRAF (0.55) BRAFCYP1B1MAP3K20RIPK2ABL1
SCHEMBL10129923 0.78 BRAF (1.00) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL14299966 0.77 BRAF (0.75) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL10130002 0.77 BRAF (0.75) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL10129812 0.77 BRAF (0.75) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL10129983 0.76 BRAF (0.82) BRAFMAP3K20RIPK2ABL1LCK
SCHEMBL10129595 0.76 BRAF (0.52) BRAFCYP1B1MAP3K20CYP11B1CYP11B2
SCHEMBL10130005 0.76 BRAF (0.73) BRAFMAP3K20RIPK2ABL1LCK

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 3693/4885MAP3K20 22/4885

“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.