SCHEMBL3223767

SCHEMBL3223767

COc1nc(N2CCC(C(=O)OC(C)(C)C)CC2)c(C#N)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.49
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 8/20 0.48
MAPK1 P28482 3/20 0.48
CASP1 P29466 3/20 0.48
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.41
CASP7 P55210 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3234102 0.91 ALDH1A1 (0.47) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3220034 0.88 ALDH1A1 (0.53) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3328653 0.88 P2RY12 (0.45) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3324328 0.88 ALDH1A1 (0.45) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3226916 0.88 ALDH1A1 (0.55) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3230375 0.88 P2RY12 (0.62) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3225485 0.85 P2RY12 (0.49) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3226385 0.81 ALDH1A1 (0.52) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3240706 0.80 P2RY12 (0.47) P2RY12ALDH1A1KDM4EMAPK1CASP1
SCHEMBL3225595 0.79 P2RY12 (0.52) P2RY12ALDH1A1KDM4EMAPK1CASP1

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 1/4885ALDH1A1 1518/4885KDM4E 3186/4885
US-20100137277-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS P2RY12, P2RY11, P2RY1 P2RY12 1/4885ALDH1A1 1782/4885KDM4E 4200/4885

“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.