SCHEMBL2836641

SCHEMBL2836641

COc1cc(C)c(S(=O)(=O)N(C)CCOc2nccc(N3CCC4(CC3)CCN(c3ccc(F)cc3)C4=O)n2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.37
MALT1 Q9UDY8 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGLN1 Q9GZT9 2/20 0.34

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
SCHEMBL2835475 0.88 BDKRB1 (0.36) BDKRB1
SCHEMBL2839266 0.88 ALDH1A1 (0.46) BDKRB1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2832152 0.83 BDKRB1 (0.37) BDKRB1
SCHEMBL2832616 0.82 HCRTR2 (0.41) BDKRB1
SCHEMBL2836460 0.82 CYP2D6 (0.41) BDKRB1
SCHEMBL2831957 0.80 BDKRB1 (0.42) BDKRB1
SCHEMBL2831993 0.80 BDKRB1 (0.40) BDKRB1
SCHEMBL2837036 0.80 CASP3 (0.38) MALT1EGLN1
SCHEMBL2834991 0.80 CASP3 (0.36) MALT1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2831005 0.79 BDKRB1 (0.41) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 (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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS BDKRB1 46/4885MALT1 2301/4885ALDH1A1 2375/4885

“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.