SCHEMBL2066191

SCHEMBL2066191

CCCSc1nc(NC[C@H]2CCCO2)c2nnn([C@@H]3C=C[C@H](O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 12/20 0.52
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE8B O95263 1/20 0.40

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
SCHEMBL2068267 1.00 P2RY12 (0.52) P2RY12ALDH1A1GAALMNAMEN1
SCHEMBL2066938 0.83 P2RY12 (0.57) P2RY12ALDH1A1GAALMNAPDE8B
SCHEMBL5002622 0.83 P2RY12 (0.57) P2RY12ALDH1A1GAALMNAPDE8B
SCHEMBL10074058 0.83 P2RY12 (0.51) P2RY12ALDH1A1TSHR
SCHEMBL2065963 0.83 P2RY12 (0.51) P2RY12ALDH1A1TSHR
SCHEMBL2066447 0.81 P2RY12 (0.62) P2RY12
SCHEMBL5002843 0.77 P2RY12 (0.53) P2RY12ALDH1A1NPSR1
SCHEMBL2065766 0.77 P2RY12 (0.53) P2RY12ALDH1A1NPSR1
SCHEMBL10074050 0.77 P2RY12 (0.53) P2RY12ALDH1A1NPSR1
SCHEMBL4011971 0.77 P2RY12 (0.49) 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 6 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 claimed
US-20080312257-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-18 — — US claimed
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 1/4885ALDH1A1 1472/4885GAA 3902/4885

“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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