SCHEMBL29980893

SCHEMBL29980893

Nc1nc(Cl)c2nnn(Cc3cccc(C4(O)CCC4)n3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
CNR1 P21554 1/20 0.43
ADORA2A P29274 15/20 0.42
ADORA2B P29275 14/20 0.39
ADORA1 P30542 14/20 0.39
ADORA3 P0DMS8 13/20 0.39

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
SCHEMBL536775 1.00 CNR2 (0.43) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL536819 0.98 CNR2 (0.43) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL537077 0.91 ADORA2A (0.41) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL536343 0.86 ADORA2A (0.45) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL536587 0.84 ADORA2A (0.45) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL536712 0.82 ADORA2A (0.39) CNR2ADORA2AADORA2BADORA1ADORA3
SCHEMBL536748 0.81 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3
SCHEMBL21814389 0.81 ADORA2A (0.43) ADORA2AADORA2BADORA1ADORA3
SCHEMBL536715 0.80 ADORA2A (0.57) CNR2CNR1ADORA2AADORA2BADORA1
SCHEMBL536820 0.80 ADORA2A (0.49) ADORA2AADORA2BADORA1ADORA3

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-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 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-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 CNR2 324/4885CNR1 231/4885ADORA2A 11/4885

“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.