SCHEMBL4112754

SCHEMBL4112754

CCOC(=O)c1cc(C#N)c(N2CC3CC2CN3C(=O)OC(C)(C)C)nc1C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 17/20 0.60
RET P07949 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C9 P11712 3/20 0.45
CHRM2 P08172 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL4112758 1.00 P2RY12 (0.60) P2RY12RETKDM4EHSD17B10GAA
SCHEMBL4104756 0.88 P2RY12 (0.64) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL4098256 0.79 P2RY12 (0.63) P2RY12KDM4ECYP3A4CYP2C9
SCHEMBL4115398 0.78 P2RY12 (0.61) P2RY12KDM4EHSD17B10CYP3A4CYP2C9
SCHEMBL4104776 0.77 P2RY12 (0.54) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL5318073 0.77 P2RY12 (0.54) P2RY12KDM4EHSD17B10GAAL3MBTL1
SCHEMBL29353492 0.76 PIK3CD (0.54) RET
SCHEMBL22772735 0.76 PIK3CD (0.54) RET
SCHEMBL22772736 0.76 PIK3CD (0.54) RET
SCHEMBL18870568 0.76 RET (0.51) RET

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 5 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
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 (2 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 1/4885RET 1829/4885KDM4E 3376/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 P2RY12 1/4885RET 2279/4885KDM4E 2316/4885

“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.