SCHEMBL13848741

SCHEMBL13848741

COc1c(NC(=O)c2ccc(C)c(N=[N+]=[N-])c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.40
MAPK14 Q16539 1/20 0.40
LYN P07948 1/20 0.37
MAPK9 P45984 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL13848812 0.85 BRAF (0.55) BRAFMAPK14
SCHEMBL13848873 0.80 BRAF (0.45) BRAFMAPK14
SCHEMBL4469465 0.75 BRAF (0.40) BRAFMAPK14LYNMAPK9
SCHEMBL4481539 0.74 BRAF (0.39) BRAFMAPK14
SCHEMBL4468379 0.74 BRAF (0.40) BRAF
SCHEMBL4503725 0.74 BRAF (0.39) BRAFMAPK14
SCHEMBL13757260 0.74 MAPK14 (0.49) BRAFMAPK14LYNMAPK9
SCHEMBL13848686 0.73 BRAF (0.42) BRAFMAPK14MEN1ALDH1A1KMT2A
SCHEMBL13848730 0.71 BRAF (0.38) BRAFLYNMAPK9
SCHEMBL4031826 0.71 GPR142 (0.40) BRAFLYNMAPK9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A BRAF 4182/4885MAPK14 447/4885LYN 2426/4885

“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.