SCHEMBL2833928

SCHEMBL2833928

COc1cc(C)c(S(=O)(=O)N(CCOc2nccc(N3CCC(Oc4ccncc4)CC3)n2)C2CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.36
BDKRB1 P46663 7/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL2832089 0.93 BDKRB1 (0.33) ACACBBDKRB1
SCHEMBL12342559 0.86 CYP2D6 (0.39) BDKRB1
SCHEMBL2830463 0.86 GPR119 (0.39) ACACBBDKRB1PDE3BPDE3APDE10A
Hydrochloric Acid SCHEMBL2836680 0.85 CYP2D6 (0.39) BDKRB1
SCHEMBL2832213 0.84 CYP3A4 (0.38) BDKRB1
SCHEMBL2836485 0.84 CYP3A4 (0.37) BDKRB1
SCHEMBL2833938 0.82 CYP2D6 (0.39) BDKRB1
SCHEMBL12342555 0.81 BDKRB1 (0.43) BDKRB1
SCHEMBL2833680 0.81 LMNA (0.43) BDKRB1PDE3BPDE3APDE10A
SCHEMBL2364196 0.80 BDKRB1 (0.40) 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 10 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
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 disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
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
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 ACACB 3812/4885BDKRB1 46/4885PDE3B 778/4885

“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.