SCHEMBL4879562

SCHEMBL4879562

CCOC(=O)c1cc(C#N)c(N2CC(NC(=O)NS(=O)(=O)Cc3ccccc3)C2)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 1.00
CYP3A4 P08684 3/20 0.72
CYP2C9 P11712 3/20 0.72
CHRM2 P08172 1/20 0.72
DRD3 P35462 1/20 0.72

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
SCHEMBL4872816 0.92 P2RY12 (1.00) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4876746 0.91 P2RY12 (0.84) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL5012496 0.91 P2RY12 (0.83) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4876980 0.91 P2RY12 (0.83) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3223721 0.89 P2RY12 (1.00) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4109623 0.89 P2RY12 (1.00) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4872898 0.87 P2RY12 (0.79) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3926956 0.87 P2RY12 (0.77) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL5050143 0.86 P2RY12 (0.95) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3924196 0.85 P2RY12 (0.76) P2RY12CYP3A4CYP2C9CHRM2DRD3

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-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 140/4885CYP2C9 96/4885

“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.