SCHEMBL4097876

SCHEMBL4097876

CCOC(=O)c1cc(C#N)c(N2CCC(NC(=O)OC(C)(C)C)CC2)nc1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.63
CYP2C9 P11712 5/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM2 P08172 1/20 0.56
DRD3 P35462 1/20 0.56
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL3933313 0.91 P2RY12 (0.64) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL3208916 0.86 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4115267 0.84 P2RY12 (0.55) P2RY12CYP2C9CYP3A4KDM4EKMT2A
SCHEMBL5221403 0.84 L3MBTL1 (0.64) P2RY12KDM4EKMT2AALDH1A1OPRK1
SCHEMBL4877982 0.83 KDM4E (0.58) P2RY12CYP2C9CYP3A4KDM4EKMT2A
SCHEMBL3922081 0.82 P2RY12 (0.55) P2RY12CYP2C9CYP3A4KDM4E
SCHEMBL4115190 0.81 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
Hydrochloric Acid SCHEMBL4105657 0.81 P2RY12 (0.62) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL22115153 0.80 P2RY12 (0.72) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4115398 0.80 P2RY12 (0.61) P2RY12CYP2C9CYP3A4KDM4E

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-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US 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
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 853/4885CYP3A4 801/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP2C9 453/4885CYP3A4 324/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP2C9 96/4885CYP3A4 140/4885

“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.