SCHEMBL10074053

SCHEMBL10074053

CCCSc1nc(NCCc2cccs2)c2nnn([C@@H]3C=C[C@H](O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.51
▸ KDM1A O60341 1/20 0.42
▸ USP28 Q96RU2 1/20 0.41
▸ NAE1 Q13564 1/20 0.39
▸ UBA3 Q8TBC4 1/20 0.39

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
SCHEMBL2066553 1.00 P2RY12 (0.51) P2RY12KDM1AUSP28NAE1UBA3
SCHEMBL2066447 0.84 P2RY12 (0.62) P2RY12USP28
SCHEMBL2067043 0.83 P2RY12 (0.60) P2RY12KDM1ANAE1UBA3
SCHEMBL10074050 0.80 P2RY12 (0.53) P2RY12KDM1A
SCHEMBL2065766 0.80 P2RY12 (0.53) P2RY12KDM1A
SCHEMBL5002843 0.80 P2RY12 (0.53) P2RY12KDM1A
SCHEMBL2065702 0.78 P2RY12 (0.53) P2RY12USP28
SCHEMBL4010220 0.78 P2RY12 (0.51) P2RY12
SCHEMBL2068267 0.76 P2RY12 (0.52) P2RY12
SCHEMBL2066191 0.76 P2RY12 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148385-B2 Substituted [1,2,3] triazolo[4,5-d]pyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-03 — — US disclosed
US-8148385-B2 Substituted [1,2,3] triazolo[4,5-d]pyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-03 — — US disclosed
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 — — US disclosed
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 — — 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-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists P2RY12, P2RY1, P2RY2 P2RY12 1/4885KDM1A 3524/4885USP28 3810/4885

“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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