SCHEMBL3324508

SCHEMBL3324508

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccccc3Cl)CC2)nc1OC

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 19/20 0.70
CYP2C9 P11712 8/20 0.69
CYP3A4 P08684 6/20 0.69
CHRM2 P08172 1/20 0.69
DRD3 P35462 1/20 0.69
CYP2C19 P33261 1/20 0.57

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
SCHEMBL3326774 0.93 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326835 0.93 P2RY12 (0.73) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3327261 0.92 P2RY12 (0.72) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326901 0.92 P2RY12 (0.74) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3328638 0.90 P2RY12 (0.84) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3328674 0.89 P2RY12 (0.68) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3588756 0.89 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326486 0.89 P2RY12 (0.76) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3326950 0.89 P2RY12 (0.74) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3589847 0.88 P2RY12 (0.69) P2RY12CYP2C9CYP3A4CHRM2DRD3

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-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US claimed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US claimed
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO 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 (2 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 114/4885CYP3A4 451/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 964/4885CYP3A4 1113/4885

“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.