SCHEMBL4103128

SCHEMBL4103128

CCOC(=O)c1cc(C#N)c(N2CCC(CC(=O)NS(=O)(=O)c3ccccc3)CC2)nc1C

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.79
CYP2C9 P11712 3/20 0.65
CYP3A4 P08684 2/20 0.65
CHRM2 P08172 1/20 0.65
DRD3 P35462 1/20 0.65

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
SCHEMBL4105011 0.92 P2RY12 (0.79) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4097467 0.91 P2RY12 (0.70) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4097854 0.89 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3928973 0.87 P2RY12 (0.64) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4105316 0.85 P2RY12 (0.81) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3934955 0.85 P2RY12 (0.63) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL3922518 0.85 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4098057 0.85 P2RY12 (1.00) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737004 0.84 P2RY12 (0.75) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4104695 0.83 P2RY12 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US claimed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US claimed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP claimed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
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
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-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 (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-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

“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.