SCHEMBL3930259

SCHEMBL3930259

CC(C)C(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2)nc1CN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.42
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP2C9 P11712 2/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
DRD3 P35462 1/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4010182 0.90 ALDH1A1 (0.48) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4164288 0.89 ALDH1A1 (0.39) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3942186 0.89 P2RY12 (0.40) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4785356 0.89 P2RY12 (0.42) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4161313 0.88 P2RY12 (0.45) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3941379 0.88 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3929704 0.88 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4183510 0.87 ALDH1A1 (0.50) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4019016 0.87 P2RY12 (0.53) P2RY12ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4737225 0.86 ALDH1A1 (0.51) P2RY12ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011627-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20090018166-A1 New Pyridine Analogues X 161 ASTRAZENECA AB (SE) 2009-01-15 US 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 (1 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-20090018166-A1 New Pyridine Analogues X 161 P2RY12, P2RY11, P2RY1 P2RY12 1/4885ALDH1A1 1717/4885KDM4E 3427/4885

“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.