SCHEMBL2836217

SCHEMBL2836217

COc1cc(C)c(S(=O)(=O)N(C)C(COc2nccc(N3CCC(OCCN4CCCC4)(c4cccnc4)CC3)n2)c2ccccc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL2836121 0.89 DRD2 (0.30) DRD2DRD3
SCHEMBL2835073 0.83 DRD2 (0.34) DRD2DRD3
SCHEMBL2832697 0.81 CASP3 (0.38) DRD2DRD3
SCHEMBL2837100 0.81 OPRD1 (0.35)
SCHEMBL2835303 0.80 DRD2 (0.33) DRD2DRD3
SCHEMBL2835478 0.79 ALDH1A1 (0.46) DRD2DRD3
SCHEMBL12342581 0.79 DRD2 (0.32) DRD2DRD3
SCHEMBL2839259 0.78 LMNA (0.39) DRD2DRD3
SCHEMBL2831310 0.77 KDM4E (0.33)
SCHEMBL2840062 0.77 HTR6 (0.35) DRD2DRD3

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 DRD2 672/4885DRD3 669/4885JAK2 317/4885

“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.