SCHEMBL1404787

SCHEMBL1404787

COC(=O)c1cn(-c2cc(C(=O)N(OC)c3cccc(C(C)(C)C)c3)ccc2C)nn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.38
ESRRA P11474 2/20 0.37
GPR142 Q7Z601 2/20 0.36
BRAF P15056 6/20 0.36
HDAC8 Q9BY41 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35

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
SCHEMBL4508141 0.92 ESRRA (0.38) NOTUMESRRAGPR142BRAFHDAC8
SCHEMBL4478022 0.81 RXRA (0.37) NOTUMBRAF
SCHEMBL4466806 0.80 BRAF (0.41) BRAF
SCHEMBL1404606 0.80 NR1I2 (0.36) ESRRABRAFCA12CA1CA2
SCHEMBL4501468 0.80 BRAF (0.34) NOTUMESRRABRAF
SCHEMBL1404510 0.78 BRAF (0.33) BRAFCA12CA1CA2CA9
SCHEMBL4462964 0.78 BRAF (0.33) NOTUMGPR142BRAF
SCHEMBL4462247 0.78 ESRRA (0.38) NOTUMESRRAGPR142BRAFHDAC8
SCHEMBL4471365 0.78 BRAF (0.33) NOTUMESRRABRAF
SCHEMBL4467274 0.78 GPR119 (0.38)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692116-B1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMA (US) 2011-03-09 EP claimed
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
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
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 EP 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 NOTUM 3901/4885ESRRA 227/4885GPR142 1586/4885
US-20070032492-A1 Cytokine Inhibitors IL1B, IL1A, IL1RN NOTUM 4315/4885ESRRA 290/4885GPR142 1326/4885

“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.