SCHEMBL4103151

SCHEMBL4103151

CCc1cnc(-c2cc(C#N)c(N3CCC(C(=O)O)CC3)nc2C)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 10/20 0.57
ELANE P08246 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CHRM2 P08172 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL4099706 0.92 P2RY12 (0.66) P2RY12CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL4105701 0.87 P2RY12 (0.54) P2RY12ALDH1A1KDM4EMAPK1MAPT
SCHEMBL4868942 0.84 P2RY12 (0.66) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL3932899 0.83 P2RY12 (0.43) P2RY12ELANECYP3A4CYP2C9CHRM2
SCHEMBL4099131 0.83 P2RY12 (0.61) P2RY12CYP3A4CYP2C9ALDH1A1KDM4E
SCHEMBL4879830 0.81 P2RY12 (0.67) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4104931 0.80 P2RY12 (0.52) P2RY12KDM4EMEN1KMT2A
SCHEMBL4098071 0.80 P2RY12 (0.87) P2RY12CYP3A4CYP2C9
SCHEMBL4871062 0.78 P2RY12 (0.55) P2RY12CYP3A4CYP2C9CHRM2DRD3
SCHEMBL4118941 0.77 P2RY12 (0.56) P2RY12KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 P2RY12 1/4885ELANE 4100/4885CYP3A4 801/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885ELANE 3828/4885CYP3A4 324/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885ELANE 4564/4885CYP3A4 140/4885

“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.