SCHEMBL2065688

SCHEMBL2065688

CCCSc1nc(NCc2ccco2)c2nnn([C@@H]3CC[C@H](O)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.62
▸ NAE1 Q13564 1/20 0.43
▸ UBA3 Q8TBC4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ FPR3 P25089 1/20 0.41

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
SCHEMBL10074050 0.82 P2RY12 (0.53) P2RY12ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2065766 0.82 P2RY12 (0.53) P2RY12ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL5002843 0.82 P2RY12 (0.53) P2RY12ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2067079 0.81 P2RY12 (0.73) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL2067043 0.80 P2RY12 (0.60) P2RY12NAE1UBA3
SCHEMBL5002622 0.78 P2RY12 (0.57) P2RY12ALDH1A1
SCHEMBL2066938 0.78 P2RY12 (0.57) P2RY12ALDH1A1
Bicarbonate SCHEMBL7509640 0.77 P2RY12 (0.66) P2RY12CYP2C9
SCHEMBL2065338 0.77 P2RY12 (1.00) P2RY12CYP2C9PGRADORA3CHRM1
Bicarbonate SCHEMBL7510618 0.77 P2RY12 (0.65) P2RY12NAE1UBA3

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 8 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-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
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 1/4885NAE1 1849/4885UBA3 1388/4885

“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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