SCHEMBL3584223

SCHEMBL3584223

CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3ccc(Cl)s3)CC2)nc1C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.82
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 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
SCHEMBL3578444 0.93 P2RY12 (0.82) P2RY12CYP3A4CYP2C9
SCHEMBL4098046 0.90 P2RY12 (1.00) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4099905 0.89 P2RY12 (0.86) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4098054 0.88 P2RY12 (1.00) P2RY12
SCHEMBL4105255 0.88 P2RY12 (0.84) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3581777 0.88 P2RY12 (0.73) P2RY12ALDH1A1
SCHEMBL4105065 0.86 P2RY12 (0.81) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29258436 0.86 P2RY12 (0.91) P2RY12CYP3A4CYP2C9
SCHEMBL4108337 0.85 P2RY12 (0.86) P2RY12CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4365314 0.84 P2RY12 (0.64) P2RY12ALDH1A1

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 1/4885CYP1A2 475/4885CYP3A4 202/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP1A2 1177/4885CYP3A4 728/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885CYP1A2 181/4885CYP3A4 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.