SCHEMBL4483684

SCHEMBL4483684

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.49
BRAF P15056 11/20 0.45
LYN P07948 1/20 0.45
MAPK9 P45984 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3A P49840 1/20 0.41

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) MAPK14BRAFLYNMAPK9
SCHEMBL4496145 0.89 MIF (0.48) MAPK14BRAFLYNMAPK9
SCHEMBL4496287 0.86 MAPK14 (0.47) MAPK14BRAFLYNMAPK9
SCHEMBL4495780 0.86 BRAF (0.52) MAPK14BRAF
SCHEMBL4498583 0.85 MAPK14 (0.46) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL4034702 0.84 MAPK14 (0.46) MAPK14BRAFLYNMAPK9
SCHEMBL6194179 0.83 BRAF (0.49) MAPK14BRAF
SCHEMBL5777714 0.83 MAPK14 (0.44) MAPK14BRAFLYNMAPK9
SCHEMBL5777792 0.83 MAPK14 (0.46) MAPK14BRAFLYNMAPK9GSK3A
SCHEMBL4487924 0.83 BRAF (0.45) MAPK14BRAFLYNMAPK9

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 12 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-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP 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 MAPK14 1621/4885BRAF 3740/4885LYN 4018/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN MAPK14 2079/4885BRAF 3631/4885LYN 3605/4885

“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.