SCHEMBL2834090

SCHEMBL2834090

COc1cc(C)c(S(=O)(=O)N(C)C(COc2nccc(N3CCN(C4CCN(C)CC4)CC3)n2)c2ccccc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 9/20 0.44
ELANE P08246 5/20 0.36
HTR1A P08908 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
INSR P06213 1/20 0.34
IGF1R P08069 1/20 0.34
ALK Q9UM73 1/20 0.34
EGFR P00533 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
SCHEMBL2832611 0.84 ACACB (0.40)
SCHEMBL2835138 0.83 RET (0.37) HRH3
SCHEMBL2833912 0.83 BDKRB1 (0.59) BDKRB1HRH3
SCHEMBL2837100 0.81 OPRD1 (0.35)
SCHEMBL2832861 0.80 SMN1; SMN2 (0.41)
SCHEMBL2835478 0.80 ALDH1A1 (0.46)
SCHEMBL2831310 0.80 KDM4E (0.33)
SCHEMBL2830529 0.80 USP2 (0.30)
SCHEMBL2834626 0.80 BDKRB1 (0.59) BDKRB1
SCHEMBL2836230 0.80 HCRTR2 (0.39)

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 3 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

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 46/4885ELANE 4465/4885HTR1A 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.