SCHEMBL2833973

SCHEMBL2833973

COc1cc(C)c(S(=O)(=O)N(C)CCOc2nccc(N3CCC(O)(c4cccnc4)CC3)n2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.41
PDE10A Q9Y233 4/20 0.39
BDKRB1 P46663 12/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2833680 0.91 LMNA (0.43) LMNAALDH1A1PDE10ABDKRB1PDE4A
SCHEMBL2831993 0.85 BDKRB1 (0.40) BDKRB1
SCHEMBL2833067 0.83 BDKRB1 (0.38) BDKRB1
SCHEMBL2836460 0.82 CYP2D6 (0.41) BDKRB1
SCHEMBL2831837 0.81 LMNA (0.46) LMNAALDH1A1PDE10APDE4APDE4B
SCHEMBL2831957 0.81 BDKRB1 (0.42) BDKRB1
SCHEMBL3816859 0.81 BDKRB1 (0.61) LMNAALDH1A1BDKRB1
SCHEMBL5125927 0.80 BDKRB1 (0.51) LMNAALDH1A1BDKRB1
Hydrochloric Acid SCHEMBL5131909 0.80 BDKRB1 (0.60) LMNAALDH1A1BDKRB1
SCHEMBL2831005 0.80 BDKRB1 (0.41) 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 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 LMNA 3222/4885ALDH1A1 2375/4885PDE10A 296/4885

“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.