SCHEMBL1831938

SCHEMBL1831938

CCCS(=O)(=O)c1nc(N)c2nnn([C@@H]3C[C@H](CO)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.37
▸ P2RY12 Q9H244 2/20 0.33
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL7143692 1.00 AHCY (0.37) AHCYP2RY12ADORA1
SCHEMBL29687929 1.00 AHCY (0.37) AHCYP2RY12ADORA1
SCHEMBL1838603 0.81 P2RY12 (0.49) AHCYP2RY12
SCHEMBL29688154 0.81 P2RY12 (0.49) AHCYP2RY12
SCHEMBL29688156 0.79 P2RY12 (0.48) AHCYP2RY12
SCHEMBL16107326 0.79 P2RY12 (0.48) AHCYP2RY12
SCHEMBL1828941 0.79 P2RY12 (0.48) AHCYP2RY12
SCHEMBL3614559 0.79 P2RY12 (0.46) P2RY12
SCHEMBL29688107 0.79 P2RY12 (0.46) P2RY12
SCHEMBL17213354 0.73 AHCY (0.34) AHCYP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON ASTRAZENECA UK LIMITED (GB) 2014-10-02 — — US claimed
EP-2322513-A2 Intermediates AstraZeneca AB (SE) 2011-05-18 — — EP claimed
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 — — EP claimed
US-20030144305-A1 Novel compounds ASTRAZENECA AB 2003-07-31 — — 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 (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-20140296258-A1 TRISUBSTITUTED TRIAZOLOPYRIMIDINES FOR USE IN PLATELET AGGREGATION INHIBITON GP6, THPO, P2RY6 AHCY 3300/4885P2RY12 11/4885ADORA1 214/4885
US-20030144305-A1 Novel compounds DPYD, TYMP, NUDT15 AHCY 2881/4885P2RY12 72/4885ADORA1 317/4885

“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.

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