SCHEMBL19639954

SCHEMBL19639954

Cc1csc(-c2nc(N)nc3c2nnn3CC2C=CC=CN2C2(O[Si](C)(C)C)CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.47
ADORA2A P29274 6/20 0.47
ADORA2B P29275 6/20 0.47
ADORA1 P30542 6/20 0.47
PDE8B O95263 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
SCHEMBL537437 0.71 ADORA2A (0.54) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536705 0.66 ADORA2A (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4046969 0.64 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536715 0.64 ADORA2A (0.57) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536678 0.62 ADORA2A (0.55) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536739 0.62 ADORA2A (0.63) ADORA3ADORA2AADORA2BADORA1
SCHEMBL20677879 0.62 ADORA2A (0.61) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536604 0.61 ADORA2A (0.74) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4044294 0.60 ADORA2A (0.65) ADORA3ADORA2AADORA2BADORA1
SCHEMBL536807 0.59 ADORA2A (0.61) ADORA3ADORA2AADORA2BADORA1

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-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2018-10-23 US disclosed
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2017-11-30 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 (2 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-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 ADORA3 14/4885ADORA2A 11/4885ADORA2B 19/4885
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA3 14/4885ADORA2A 11/4885ADORA2B 19/4885

“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.