SCHEMBL13848828

SCHEMBL13848828

COc1c(NC(=O)c2cc(F)c(C)c(N3C=C(c4cccnc4)NN3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.45
ABCB1 P08183 3/20 0.42
ABCC1 P33527 1/20 0.42
BRAF P15056 9/20 0.41
LYN P07948 2/20 0.40
MAPK9 P45984 2/20 0.40
TEK Q02763 1/20 0.39
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 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
SCHEMBL13848808 0.93 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL13848813 0.91 MAPK14 (0.44) MAPK14ABCB1ABCC1BRAFLYN
SCHEMBL13848739 0.89 BRAF (0.48) MAPK14BRAF
SCHEMBL13887458 0.88 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL13848946 0.86 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL4033283 0.84 MAPK14 (0.45) MAPK14ABCB1ABCC1BRAFLYN
SCHEMBL13848669 0.82 BRAF (0.52) BRAF
SCHEMBL13848820 0.81 BRAF (0.49) MAPK14BRAF
SCHEMBL13848650 0.81 BRAF (0.53) BRAF
SCHEMBL13757128 0.81 MAPK14 (0.43) MAPK14BRAF

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 MAPK14 447/4885ABCB1 1822/4885ABCC1 1660/4885

“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.