SCHEMBL2835616

SCHEMBL2835616

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(N(C)CCN4CCC(c5ccccc5)(N5CCCC5)CC4)n3)C2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.30
BDKRB1 P46663 1/20 0.30
NPY1R P25929 1/20 0.30
KCNH2 Q12809 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
SCHEMBL2831143 0.95 LMNA (0.32) NAAABDKRB1NPY1RKCNH2
SCHEMBL2834822 0.90 OPRM1 (0.32) NAAABDKRB1
SCHEMBL2832968 0.88 BDKRB1 (0.31) BDKRB1
SCHEMBL2835310 0.86 BDKRB1 (0.33) NAAABDKRB1
SCHEMBL2834663 0.86 OPRM1 (0.33) NAAABDKRB1KCNH2
SCHEMBL2835614 0.85 NAMPT (0.32) NPY1RKCNH2
SCHEMBL2839370 0.85 CASP3 (0.34)
SCHEMBL2836406 0.85 CASP3 (0.35)
SCHEMBL2832121 0.84 BDKRB1 (0.42) BDKRB1
SCHEMBL2835513 0.82 BDKRB1 (0.33) BDKRB1KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NAAA 1814/4885BDKRB1 46/4885NPY1R 223/4885

“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.