SCHEMBL14974263

SCHEMBL14974263

Cc1nonc1Cn1nc2nc(C(C)(C)C)nc(N3CCC(O)[C@@H]3CO)c2n1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.48
CNR1 P21554 1/20 0.40

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
SCHEMBL14974265 1.00 CNR2 (0.48) CNR2CNR1
SCHEMBL16848418 0.88 CNR2 (0.46) CNR2CNR1
SCHEMBL14912103 0.81 CNR2 (0.63) CNR2CNR1
SCHEMBL14973974 0.80 CNR2 (0.66) CNR2CNR1
SCHEMBL14973976 0.80 CNR2 (0.66) CNR2CNR1
SCHEMBL14977554 0.78 CNR2 (0.52) CNR2CNR1
SCHEMBL14985449 0.77 CNR2 (0.53) CNR2CNR1
SCHEMBL14977461 0.77 CNR2 (0.49) CNR2
SCHEMBL14974298 0.77 CNR2 (0.49) CNR2
SCHEMBL14977377 0.74 CNR2 (0.43) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-05-30 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-20130137676-A1 NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMS, TBXA2R, TYMP CNR2 135/4885CNR1 78/4885

“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.