SCHEMBL1404772

SCHEMBL1404772

COC(=O)c1cn(-c2cc(C(=O)Cl)ccc2C)nn1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.49
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ESRRA P11474 1/20 0.39
GPR142 Q7Z601 2/20 0.39
KMT2A Q03164 2/20 0.37
WDR5 P61964 1/20 0.36
KCNMA1 Q12791 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL1404615 0.89 NOTUM (0.47) NOTUMCA12CA1CA2CA9
SCHEMBL1404644 0.84 KDM4E (0.47) NOTUMCA12CA1CA2CA9
SCHEMBL31284815 0.82 CA12 (0.50) NOTUMCA12CA1CA2CA9
SCHEMBL18298398 0.79 NOTUM (0.50) NOTUMCA12CA1CA2CA9
SCHEMBL29739246 0.79 NOTUM (0.50) NOTUMCA12CA1CA2CA9
SCHEMBL1404531 0.77 ALDH1A1 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL24466661 0.75 NOTUM (0.55) NOTUMCA12CA1CA2CA9
SCHEMBL1404785 0.75 MEN1 (0.50) RAB9ASMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL31123923 0.74 NOTUM (0.57) NOTUMCA12CA1CA2CA9
SCHEMBL1404787 0.74 NOTUM (0.38) NOTUMCA12CA1CA2CA9

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 disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
EP-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP disclosed
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-14 US disclosed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO 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-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder IL1A, IL1R1, IL1RN NOTUM 4018/4885CA12 4838/4885CA1 4185/4885

“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.