SCHEMBL4010182

SCHEMBL4010182

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
RXFP1 Q9HBX9 1/20 0.44
P2RY12 Q9H244 12/20 0.41
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
DRD3 P35462 1/20 0.39
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4183510 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL3942186 0.91 P2RY12 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL4161313 0.91 P2RY12 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL3941379 0.91 P2RY12 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL3929704 0.91 P2RY12 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL3930259 0.90 P2RY12 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL4785356 0.89 P2RY12 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL4019016 0.89 P2RY12 (0.53) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL3929514 0.89 P2RY12 (0.39) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL4183233 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AMAPK1

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 ALDH1A1 1717/4885KDM4E 3427/4885MEN1 2382/4885

“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.