SCHEMBL4990739

SCHEMBL4990739

CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)O)CC2C(C)(C)C)nc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.54
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NEK2 P51955 2/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4996728 0.84 P2RY12 (0.38) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3232612 0.84 P2RY12 (0.69) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3230375 0.78 P2RY12 (0.62) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL4991408 0.76 P2RY12 (0.41) P2RY12KDM4EALDH1A1GAAMAPK1
SCHEMBL3225595 0.72 P2RY12 (0.52) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3229240 0.71 P2RY12 (0.59) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3216575 0.71 P2RY12 (0.69) P2RY12KDM4EALDH1A1MAPK1CYP2C9
SCHEMBL3328020 0.71 P2RY12 (0.57) P2RY12KDM4EALDH1A1GAAMAPT
SCHEMBL3324560 0.70 P2RY12 (1.00) P2RY12CYP2C9
SCHEMBL3223687 0.69 P2RY12 (0.87) P2RY12CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171732-A1 New Pyridine Analogues IX 519 ASTRAZENECA AB (SE) 2008-07-17 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-20080171732-A1 New Pyridine Analogues IX 519 P2RY12, P2RY11, P2RY1 P2RY12 1/4885KDM4E 3186/4885ALDH1A1 1518/4885

“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.