SCHEMBL13848740

SCHEMBL13848740

COc1c(NC(=O)c2ccc(C)c(N3C=C(c4ccc(CN5CCOCC5)nc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
RAF1 P04049 1/20 0.61
LYN P07948 1/20 0.61
EPHA2 P29317 1/20 0.61
EPHA3 P29320 1/20 0.61
AKT1 P31749 1/20 0.61
MAPK9 P45984 1/20 0.61
MAPK14 Q16539 1/20 0.44

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
SCHEMBL13848955 0.94 BRAF (0.53) BRAFABL1EGFRRAF1LYN
SCHEMBL13848992 0.87 BRAF (0.46) BRAFABL1EGFRRAF1LYN
SCHEMBL13848650 0.86 BRAF (0.53) BRAF
SCHEMBL13848790 0.86 BRAF (0.50) BRAFABL1EGFRRAF1LYN
SCHEMBL4031689 0.86 BRAF (0.61) BRAFABL1EGFRRAF1LYN
SCHEMBL13848646 0.86 BRAF (0.49) BRAF
SCHEMBL13848735 0.85 BRAF (0.47) BRAF
SCHEMBL13848951 0.85 BRAF (0.48) BRAF
SCHEMBL13887465 0.85 BRAF (0.48) BRAF
SCHEMBL13848736 0.84 BRAF (0.48) 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 4182/4885ABL1 1907/4885EGFR 3877/4885

“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.