SCHEMBL29980740

SCHEMBL29980740

CCCn1c(=O)c2c(nc(-c3ccc(OC)c(OC)c3)n2C)n(CCC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.65
ADORA2A P29274 9/20 0.65
ADORA3 P0DMS8 2/20 0.64
HTR1A P08908 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAOB P27338 1/20 0.53
PDE4A P27815 1/20 0.53
ADORA1 P30542 1/20 0.53
PDE4D Q08499 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL12257489 0.91 ADORA2B (0.54) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL8184575 0.84 ADORA2A (0.54) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12257433 0.82 ADORA2A (0.45) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL14893220 0.82 ADORA2A (0.60) ADORA2BADORA2AMAOB
SCHEMBL12259507 0.81 ADORA2B (0.46) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12257272 0.81 ADORA2A (0.44) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12257268 0.81 ADORA2A (0.49) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12257492 0.81 KDM4E (0.48) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12256821 0.81 ADORA2A (0.45) ADORA2BADORA2AADORA3HTR1ACYP2C9
SCHEMBL12257432 0.80 ADORA2A (0.43) ADORA2BADORA2AADORA3HTR1ACYP2C9

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 ADORA2B 19/4885ADORA2A 11/4885ADORA3 14/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2B 19/4885ADORA2A 11/4885ADORA3 14/4885

“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.