SCHEMBL2834666

SCHEMBL2834666

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2ccnc(N3CCC(N4CCN(C)CC4)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.40
ACVR1 Q04771 6/20 0.37
HTR1A P08908 2/20 0.36
ELANE P08246 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
FGFR3 P22607 3/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 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
SCHEMBL2836488 0.97 BDKRB1 (0.40) BDKRB1ACVR1HTR1AELANECA12
SCHEMBL2839928 0.95 BDKRB1 (0.39) BDKRB1ACVR1HTR1AELANECA12
SCHEMBL2832782 0.94 CA12 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL2836548 0.91 CA12 (0.38) CA12CA1CA2CA9ALDH1A1
SCHEMBL2832996 0.88 KMT2A (0.40) ALDH1A1CASP3CASP7
SCHEMBL2834791 0.87 BDKRB1 (0.41) BDKRB1ELANECA12CA1CA2
SCHEMBL2361261 0.86 BDKRB1 (0.40) BDKRB1ACVR1HTR1AELANEFGFR3
SCHEMBL2835296 0.86 HTR7 (0.40) HTR1AALDH1A1CASP3CASP7
SCHEMBL2836786 0.85 KMT2A (0.39) ALDH1A1CASP3CASP7
SCHEMBL2834109 0.85 HTR7 (0.40) HTR1AALDH1A1CASP3CASP7

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 46/4885ACVR1 1949/4885HTR1A 199/4885

“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.