SCHEMBL4115405

SCHEMBL4115405

CCOC(=O)c1cc(C#N)c(N2CC3CN(C(=O)O)CC3C2)nc1C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.70
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4098256 0.87 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL3221673 0.86 P2RY12 (0.69) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
SCHEMBL4105831 0.86 P2RY12 (0.69) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
SCHEMBL4872969 0.84 P2RY12 (0.61) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4104473 0.84 P2RY12 (0.61) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
SCHEMBL4097633 0.83 P2RY12 (1.00) P2RY12CYP3A4CYP2C9
SCHEMBL5014112 0.83 P2RY12 (0.63) P2RY12CYP3A4CYP2C9KDM4E
Hydrochloric Acid SCHEMBL3924192 0.82 P2RY12 (0.60) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4150076 0.82 P2RY12 (0.60) P2RY12CYP3A4CYP2C9KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL3999368 0.81 P2RY12 (0.59) P2RY12CYP3A4CYP2C9KDM4EHSD17B10

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 4 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
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP 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 1/4885CYP3A4 801/4885CYP2C9 853/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP3A4 324/4885CYP2C9 453/4885

“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.