SCHEMBL10074058

SCHEMBL10074058

CCCSc1nc(NCC2CCCN2CC)c2nnn([C@@H]3C=C[C@H](O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.51
▸ USP2 O75604 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ DRD2 P14416 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
SCHEMBL2065963 1.00 P2RY12 (0.51) P2RY12USP2KDM4EALDH1A1CYP3A4
SCHEMBL2066541 0.83 P2RY12 (0.57) P2RY12USP2
SCHEMBL2066191 0.83 P2RY12 (0.52) P2RY12ALDH1A1TSHR
SCHEMBL2068267 0.83 P2RY12 (0.52) P2RY12ALDH1A1TSHR
SCHEMBL2066447 0.81 P2RY12 (0.62) P2RY12CYP2C9
SCHEMBL10074050 0.75 P2RY12 (0.53) P2RY12KDM4EALDH1A1CYP3A4HPGD
SCHEMBL2065766 0.75 P2RY12 (0.53) P2RY12KDM4EALDH1A1CYP3A4HPGD
SCHEMBL2065702 0.75 P2RY12 (0.53) P2RY12CYP2C9
SCHEMBL5002843 0.75 P2RY12 (0.53) P2RY12KDM4EALDH1A1CYP3A4HPGD
SCHEMBL2065967 0.74 P2RY12 (0.50) P2RY12CYP2C9

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 1/4885USP2 4236/4885KDM4E 3880/4885

“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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