SCHEMBL4496145

SCHEMBL4496145

COc1c(NC(=O)c2cccc(-n3cc(C(=O)NCc4ccccc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.48
MAPK14 Q16539 6/20 0.47
DDT P30046 3/20 0.46
SCARB1 Q8WTV0 3/20 0.42
BRAF P15056 4/20 0.41
LYN P07948 2/20 0.41
MAPK9 P45984 2/20 0.41
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHA3 P29320 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL4496001 0.90 MAPK14 (0.46) MAPK14SCARB1BRAFLYNMAPK9
SCHEMBL4483684 0.89 MAPK14 (0.49) MAPK14BRAFLYNMAPK9
SCHEMBL5777792 0.89 MAPK14 (0.46) MAPK14SCARB1BRAFLYNMAPK9
SCHEMBL4496075 0.88 MIF (0.47) MIFMAPK14BRAF
SCHEMBL4494544 0.88 MAPK14 (0.46) MIFMAPK14DDTSCARB1BRAF
SCHEMBL4498741 0.86 MAPK14 (0.46) MIFMAPK14DDTSCARB1BRAF
SCHEMBL4507183 0.84 DDT (0.50) MAPK14DDTBRAF
SCHEMBL5620583 0.82 BRAF (0.46) MAPK14BRAF
SCHEMBL13757154 0.82 BRAF (0.46) MAPK14BRAF
SCHEMBL6808232 0.82 BRAF (0.45) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 US claimed
US-7569568-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
US-20070032492-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-7166628-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 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 (2 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-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN MIF 40/4885MAPK14 1621/4885DDT 4803/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN MIF 61/4885MAPK14 2079/4885DDT 4781/4885

“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.