SCHEMBL3221673

SCHEMBL3221673

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.69
CYP3A4 P08684 3/20 0.64
CYP2C9 P11712 3/20 0.64
KDM4E B2RXH2 2/20 0.59
CHRM2 P08172 1/20 0.57
DRD3 P35462 1/20 0.57
HSD17B10 Q99714 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
SCHEMBL5014112 0.94 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4ECHRM2
SCHEMBL5592386 0.94 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL5014008 0.93 P2RY12 (0.62) P2RY12CYP3A4CYP2C9KDM4ECHRM2
SCHEMBL29258844 0.92 P2RY12 (0.65) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL30999839 0.92 P2RY12 (0.65) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4877269 0.89 P2RY12 (0.57) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL4740960 0.89 P2RY12 (0.57) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL4115190 0.89 P2RY12 (0.70) P2RY12CYP3A4CYP2C9KDM4ECHRM2
SCHEMBL4875331 0.89 P2RY12 (0.56) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL3327054 0.88 P2RY12 (0.56) P2RY12CYP3A4CYP2C9KDM4E

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344351-A Preparation method and application of PET imaging agent targeting neuroinflammatory purinergic P2Y12 receptor 复旦大学 2024-07-16 CN disclosed
WO-2010005385-A1 2-AMINO-6-ALKYL SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS P2Y12 INHIBITORS 308 ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20070244088-A1 New Pyridine Analogues II ASTRAZENECA AB (SE) 2007-10-18 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (6 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 P2RY12 1/4885CYP3A4 254/4885CYP2C9 387/4885
US-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 801/4885CYP2C9 853/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP3A4 324/4885CYP2C9 453/4885
US-20070244088-A1 New Pyridine Analogues II P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP3A4 235/4885CYP2C9 416/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 140/4885CYP2C9 96/4885
US-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 P2RY12 1/4885CYP3A4 375/4885CYP2C9 155/4885

“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.