SCHEMBL2832998

SCHEMBL2832998

COc1cc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2COc2ccnc(N3CCC(N4CCN(C)CC4)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.40
BDKRB1 P46663 2/20 0.37
ACVR1 Q04771 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FGFR3 P22607 6/20 0.36
KDR P35968 3/20 0.36
KDM4E B2RXH2 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL2834634 0.97 HTR1A (0.40) HTR1ABDKRB1SMN1; SMN2KDM4E
SCHEMBL2360574 0.93 CA12 (0.38) HTR1ASMN1; SMN2
SCHEMBL12150081 0.88 BDKRB1 (0.39) HTR1ABDKRB1SMN1; SMN2
SCHEMBL2836242 0.87 HTR1A (0.36) HTR1ASMN1; SMN2KDM4E
SCHEMBL2835372 0.86 HTR1A (0.35) HTR1ASMN1; SMN2
SCHEMBL2836529 0.86 CA12 (0.38) BDKRB1SMN1; SMN2
SCHEMBL2834666 0.84 BDKRB1 (0.40) HTR1ABDKRB1ACVR1FGFR3
SCHEMBL2833025 0.82 TSHR (0.38)
SCHEMBL2833030 0.82 TSHR (0.38)
SCHEMBL2836488 0.81 BDKRB1 (0.40) HTR1ABDKRB1ACVR1

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 HTR1A 199/4885BDKRB1 46/4885ACVR1 1949/4885

“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.