SCHEMBL29980748

SCHEMBL29980748

Cc1ccc(-c2nc(N)ncc2[N+](=O)[O-])o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADORA2A P29274 13/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CLK1 P49759 2/20 0.40
DHFR P00374 1/20 0.38
ADORA1 P30542 1/20 0.37

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
SCHEMBL29980651 1.00 MAPT (0.44) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL4048966 0.76 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL536690 0.75 ADORA2A (0.40) ADORA2AADORA1
SCHEMBL21176826 0.75 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL30738347 0.75 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL10282358 0.72 MAPT (0.51) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL27538176 0.72 ADORA1 (0.50) MAPTALDH1A1LMNAHTTADORA2A
SCHEMBL4045282 0.69 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL21814372 0.68 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL1414668 0.68 DHFR (0.53) MAPTALDH1A1LMNAHTTRAB9A

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-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 US disclosed
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 (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-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 MAPT 4242/4885ALDH1A1 1329/4885LMNA 2988/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 MAPT 4242/4885ALDH1A1 1329/4885LMNA 2988/4885

“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.