SCHEMBL3932899

SCHEMBL3932899

CCc1cnc(-c2cc(C#N)c(N3CCC(C(=O)O)CC3)nc2CN2CCCC2=O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.43
ELANE P08246 7/20 0.38
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
NEK1 Q96PY6 1/20 0.33
PGGT1B P53609 1/20 0.33
MPL P40238 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL4183151 0.91 P2RY12 (0.40) P2RY12ELANECYP3A4KDM4EALDH1A1
SCHEMBL4169278 0.88 ELANE (0.38) P2RY12ELANEALDH1A1GAAMAPK1
SCHEMBL4178445 0.87 CYP3A4 (0.57) P2RY12CYP3A4CHRM2CYP2C9DRD3
SCHEMBL4103151 0.83 P2RY12 (0.57) P2RY12ELANECYP3A4KDM4EALDH1A1
SCHEMBL4173989 0.83 P2RY12 (0.44) P2RY12CYP3A4CHRM2CYP2C9DRD3
SCHEMBL4161313 0.79 P2RY12 (0.45) P2RY12CYP3A4KDM4EALDH1A1GAA
SCHEMBL4010182 0.79 ALDH1A1 (0.48) P2RY12CYP3A4KDM4EALDH1A1GAA
SCHEMBL4176037 0.79 MAPK1 (0.33) P2RY12ELANEKDM4EALDH1A1GAA
SCHEMBL3942186 0.78 P2RY12 (0.40) P2RY12CYP3A4KDM4EALDH1A1GAA
SCHEMBL4019016 0.78 P2RY12 (0.53) P2RY12CYP3A4KDM4EALDH1A1GAA

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 1/4885ELANE 3363/4885CYP3A4 474/4885

“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.