SCHEMBL3931329

SCHEMBL3931329

N#Cc1cc(C(=O)CCC(F)(F)F)c(CN2CCCC2=O)nc1N1CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD3 P35462 1/20 0.34
MPL P40238 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
SCHEMBL4178838 0.90 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL4019016 0.90 P2RY12 (0.53) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL3932846 0.88 P2RY12 (0.48) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL4161313 0.88 P2RY12 (0.45) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL3941379 0.88 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL3930122 0.87 P2RY12 (0.42) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL4166675 0.87 P2RY12 (0.53) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL3942186 0.87 P2RY12 (0.40) P2RY12ALDH1A1KDM4EMEN1MAPK1
SCHEMBL4174937 0.86 P2RY12 (0.51) P2RY12CHRM2CYP3A4CYP2C9DRD3
SCHEMBL3929704 0.86 P2RY12 (0.41) P2RY12ALDH1A1KDM4EMEN1MAPK1

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.