SCHEMBL3592452

SCHEMBL3592452

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)OC(C)(C)C)C2)nc1OCC(F)F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
ACACB O00763 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3326567 0.91 P2RY12 (0.50) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL3584927 0.89 P2RY12 (0.51) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL3328353 0.88 P2RY12 (0.50) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL4115398 0.85 P2RY12 (0.61) P2RY12CYP3A4CYP2C9KDM4E
SCHEMBL3328139 0.84 P2RY12 (0.51) P2RY12ALDH1A1CYP3A4CYP2C9
SCHEMBL4007118 0.83 ALDH1A1 (0.58) P2RY12ALDH1A1KDM4ELMNAHPGD
SCHEMBL3326970 0.81 L3MBTL1 (0.52) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL3226916 0.79 ALDH1A1 (0.55) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL3327054 0.79 P2RY12 (0.56) P2RY12ALDH1A1CYP3A4CYP2C9KDM4E
SCHEMBL3594018 0.78 P2RY12 (0.77) 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 4 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 disclosed
EP-2044050-A1 NEW PYRIDINE ANALOGUES Astra Zeneca AB (SE) 2009-04-08 EP 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 (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-20080039437-A1 New Pyridine Analogues III P2RY12, P2RY1, P2RY11 P2RY12 1/4885ALDH1A1 1928/4885CYP3A4 202/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 P2RY12 1/4885ALDH1A1 1691/4885CYP3A4 728/4885

“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.