SCHEMBL3230375

SCHEMBL3230375

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 18/20 0.62
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.41
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL3231241 0.89 P2RY12 (0.60) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3223767 0.88 P2RY12 (0.49) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3232612 0.88 P2RY12 (0.69) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3226916 0.87 ALDH1A1 (0.55) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3234102 0.87 ALDH1A1 (0.47) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3234380 0.86 P2RY12 (0.61) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3324328 0.84 ALDH1A1 (0.45) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3328653 0.84 P2RY12 (0.45) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3239377 0.81 P2RY12 (0.48) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4161320 0.80 P2RY12 (0.47) P2RY12KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2010-06-03 US disclosed
WO-2010005384-A1 KETONE PYRIDINE ANALOGUES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISORDERS ASTRAZENECA AB (SE) 2010-01-14 WO disclosed
EP-2111400-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. AstraZeneca AB (SE) 2009-10-28 EP disclosed
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008085117-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 3186/4885ALDH1A1 1518/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 4200/4885ALDH1A1 1782/4885

“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.