SCHEMBL2833680

SCHEMBL2833680

COc1cc(C)c(S(=O)(=O)N(CCOc2nccc(N3CCC(O)(c4cccnc4)CC3)n2)C2CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDE10A Q9Y233 4/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
RET P07949 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
BDKRB1 P46663 1/20 0.35
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2833973 0.91 LMNA (0.45) LMNAALDH1A1SMN1; SMN2PDE10APDE4A
SCHEMBL2835073 0.87 DRD2 (0.34) LMNAALDH1A1SMN1; SMN2USP2MAPT
SCHEMBL2835303 0.85 DRD2 (0.33) LMNASMN1; SMN2USP2MAPTBDKRB1
SCHEMBL12342559 0.84 CYP2D6 (0.39) ALDH1A1SMN1; SMN2BDKRB1CYP2D6HPGD
Hydrochloric Acid SCHEMBL2836680 0.83 CYP2D6 (0.39) ALDH1A1SMN1; SMN2BDKRB1CYP2D6HPGD
SCHEMBL5131418 0.82 BDKRB1 (0.52) LMNAALDH1A1BDKRB1
SCHEMBL2832213 0.82 CYP3A4 (0.38) ALDH1A1BDKRB1CYP2D6
SCHEMBL2836485 0.82 CYP3A4 (0.37) ALDH1A1BDKRB1CYP2D6
SCHEMBL2832089 0.81 BDKRB1 (0.33) BDKRB1CYP2D6
SCHEMBL2364196 0.81 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 LMNA 3222/4885ALDH1A1 2375/4885SMN1; SMN2 2081/4885

“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.