SCHEMBL3586010

SCHEMBL3586010

CCOC(=O)c1cc(C#N)c(N2CC(C(=O)O)C2)nc1C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
P2RY12 Q9H244 16/20 0.63
ACACB O00763 1/20 0.61
KDM4E B2RXH2 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL29258456 0.92 ALDH1A1 (0.69) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL30999847 0.92 ALDH1A1 (0.69) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL3599232 0.90 ALDH1A1 (0.74) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL3221673 0.86 P2RY12 (0.69) P2RY12KDM4E
SCHEMBL5066024 0.85 ALDH1A1 (0.83) ALDH1A1P2RY12KDM4ENPSR1
SCHEMBL4881876 0.85 ALDH1A1 (0.49) ALDH1A1P2RY12ACACBKDM4ENPSR1
SCHEMBL3585012 0.85 P2RY12 (0.55) ALDH1A1P2RY12KDM4E
SCHEMBL4740960 0.85 P2RY12 (0.57) ALDH1A1P2RY12KDM4E
SCHEMBL5134732 0.84 P2RY12 (0.54) ALDH1A1P2RY12ACACBKDM4E
SCHEMBL3586329 0.84 P2RY12 (0.54) ALDH1A1P2RY12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344351-A Preparation method and application of PET imaging agent targeting neuroinflammatory purinergic P2Y12 receptor 复旦大学 2024-07-16 CN disclosed
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
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 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
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 ALDH1A1 1928/4885P2RY12 1/4885ACACB 4569/4885
US-20100069350-A1 New Pyridine Analogues III P2RY12, P2RY11, P2RY1 ALDH1A1 1691/4885P2RY12 1/4885ACACB 4413/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 ALDH1A1 1274/4885P2RY12 1/4885ACACB 4334/4885

“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.