SCHEMBL3590674

SCHEMBL3590674

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)nc1C(F)F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 20/20 0.66
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 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
SCHEMBL3591830 0.93 P2RY12 (0.67) P2RY12CYP3A4CYP2C9
SCHEMBL4098975 0.91 P2RY12 (0.79) P2RY12CYP3A4CYP2C9
SCHEMBL3591353 0.91 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL5065254 0.90 P2RY12 (0.55) P2RY12CYP3A4CYP2C9
SCHEMBL3580934 0.89 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL3593303 0.88 P2RY12 (0.61) P2RY12CYP3A4CYP2C9
SCHEMBL3591705 0.86 P2RY12 (0.69) P2RY12CYP3A4CYP2C9
SCHEMBL5319003 0.84 P2RY12 (0.68) P2RY12CYP3A4CYP2C9
SCHEMBL4105915 0.84 P2RY12 (0.80) P2RY12CYP3A4CYP2C9
SCHEMBL3584028 0.84 P2RY12 (0.70) P2RY12CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US claimed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US claimed
US-20100069350-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2010-03-18 US disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080039437-A1 New Pyridine Analogues III ASTRAZENECA AB (SE) 2008-02-14 US disclosed
WO-2008004946-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-10 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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 P2RY12 1/4885CYP3A4 202/4885CYP2C9 331/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 728/4885CYP2C9 873/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP3A4 140/4885CYP2C9 96/4885

“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.