SCHEMBL4501456

SCHEMBL4501456

COc1c(N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.40
NR1I2 O75469 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
GPR142 Q7Z601 2/20 0.37
NR1H4 Q96RI1 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
SCHEMBL4478013 0.93 BRAF (0.40) BRAFGPR142NR1H4
SCHEMBL4465326 0.90 P4HTM (0.41) BRAFNR1I2NR1H4
SCHEMBL4484181 0.90 NR1H4 (0.38) BRAFGPR142NR1H4
SCHEMBL4462955 0.88 BRAF (0.39) BRAFGPR142NR1H4
Pivalamide SCHEMBL5794562 0.88 NR1H4 (0.37) BRAFGPR142NR1H4
SCHEMBL4471341 0.87 BRAF (0.38) BRAFGPR142NR1H4
SCHEMBL4495780 0.87 BRAF (0.52) BRAF
SCHEMBL4473125 0.87 BRAF (0.38) BRAFGPR142NR1H4
SCHEMBL4467266 0.87 MAPK14 (0.41) BRAF
SCHEMBL4482380 0.87 BRAF (0.38) BRAFGPR142NR1H4

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 10 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
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 BRAF 3740/4885NR1I2 138/4885ABCG2 4516/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN BRAF 3631/4885NR1I2 175/4885ABCG2 4225/4885

“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.