SCHEMBL4098277

SCHEMBL4098277

Cc1nc(Cl)c(C#N)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4737013 0.87 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL2077420 0.87 ALDH1A1 (0.58) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL11493973 0.87 KDM4E (0.51) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL4881069 0.85 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL5027028 0.84 KEAP1 (0.55) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL4881076 0.83 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL2227187 0.83 GAA (0.69) CYP1A2CYP2C9CYP2C19NPSR1GAA
SCHEMBL23120406 0.81 GAA (0.48) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL3227432 0.80 KDM4E (0.71) CYP2C9NPSR1GAASMN1; SMN2ALDH1A1
SCHEMBL4104706 0.80 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19NPSR1GAA

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 CYP1A2 1087/4885CYP2C9 853/4885CYP2C19 358/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 CYP1A2 620/4885CYP2C9 453/4885CYP2C19 95/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 CYP1A2 181/4885CYP2C9 96/4885CYP2C19 33/4885

“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.