SCHEMBL5128559

SCHEMBL5128559

CCCSc1nc(NCC2CC2)c2nnn([C@@H]3CC[C@@H](c4nnn[nH]4)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.42
▸ KDM1A O60341 1/20 0.36
▸ USP28 Q96RU2 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL4012995 0.90 P2RY12 (0.54) P2RY12KDM1AUSP28CYP2C9
SCHEMBL5120517 0.88 P2RY12 (0.41) P2RY12KDM1AUSP28CYP2C9
SCHEMBL5124872 0.85 P2RY12 (0.43) P2RY12KDM1AUSP28
SCHEMBL4017017 0.82 P2RY12 (0.54) P2RY12
SCHEMBL5115747 0.81 P2RY12 (0.62) P2RY12CYP2C9
SCHEMBL13768967 0.73 P2RY12 (0.57) P2RY12
SCHEMBL4011971 0.72 P2RY12 (0.49) P2RY12
SCHEMBL4228562 0.71 P2RY12 (0.69) P2RY12
SCHEMBL4011274 0.71 P2RY12 (0.69) P2RY12
SCHEMBL4012272 0.70 P2RY12 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108635-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-08 — — 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-20080108635-A1 Triazolopyrimidine derivatives as ADP P2Y12 receptor antagonists P2RY12, P2RY1, P2RY2 P2RY12 1/4885KDM1A 3744/4885USP28 4224/4885

“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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