SCHEMBL5729958

SCHEMBL5729958

CCCSc1nc(Cl)c2nnn(C3CCC[C@H]3O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.46
KDM1A O60341 1/20 0.42
ADORA2A P29274 1/20 0.38

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
SCHEMBL5729389 1.00 P2RY12 (0.46) P2RY12KDM1AADORA2A
SCHEMBL6075252 1.00 P2RY12 (0.46) P2RY12KDM1AADORA2A
SCHEMBL5729393 1.00 P2RY12 (0.46) P2RY12KDM1AADORA2A
SCHEMBL14709136 0.83 KDM1A (0.58) P2RY12KDM1AADORA2A
SCHEMBL6844522 0.81 P2RY12 (0.47) P2RY12KDM1A
SCHEMBL6626046 0.81 P2RY12 (0.47) P2RY12KDM1A
SCHEMBL14709077 0.81 KDM1A (0.44) P2RY12KDM1A
SCHEMBL15859656 0.79 P2RY12 (0.43) P2RY12
SCHEMBL15757983 0.79 P2RY12 (0.43) P2RY12
SCHEMBL1509197 0.79 P2RY12 (0.43) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335919-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2006-11-15 EP disclosed
US-7034032-B2 Cyclopentan-2-ol-1-yl-[1,2,3]triazolo[4,5-D]pyrimidine compounds ASTRAZENECA AB (SE) 2006-04-25 US disclosed
US-20040023988-A1 Novel compounds ASTRAZENECA AB (SE) 2004-02-05 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-20040023988-A1 Novel compounds DPYD, TYMP, TYMS P2RY12 132/4885KDM1A 2172/4885ADORA2A 483/4885

“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.