SCHEMBL2832089

SCHEMBL2832089

COc1cc(C)c(S(=O)(=O)N(CCOc2nccc(N3CCC4(CCC(Oc5ccncc5)CC4)CC3)n2)C2CC2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.33
ACACB O00763 3/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL2833928 0.93 ACACB (0.36) BDKRB1ACACB
SCHEMBL12342559 0.91 CYP2D6 (0.39) BDKRB1ITGB3ITGA2BFFAR4CYP1A2
Hydrochloric Acid SCHEMBL2836680 0.91 CYP2D6 (0.39) BDKRB1ITGB3ITGA2BFFAR4CYP1A2
SCHEMBL2832213 0.88 CYP3A4 (0.38) BDKRB1ITGB3ITGA2BCYP1A2CYP3A4
SCHEMBL2836485 0.88 CYP3A4 (0.37) BDKRB1ITGB3ITGA2BCYP1A2CYP3A4
SCHEMBL2833938 0.88 CYP2D6 (0.39) BDKRB1ITGB3ITGA2BFFAR4CYP1A2
SCHEMBL2364196 0.87 BDKRB1 (0.40) BDKRB1FFAR4
Hydrochloric Acid SCHEMBL2831731 0.86 BDKRB1 (0.40) BDKRB1FFAR4
SCHEMBL2836035 0.85 BDKRB1 (0.37) BDKRB1FFAR4
SCHEMBL2833680 0.81 LMNA (0.43) BDKRB1CYP2D6

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 BDKRB1 46/4885ACACB 3812/4885ITGB3 3573/4885

“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.