SCHEMBL4098295

SCHEMBL4098295

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 3/20 0.50
GAA P10253 3/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL2227187 0.84 GAA (0.69) LMNAALDH1A1HSD17B10GAAKDM4E
SCHEMBL2077420 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10GAAMAPTKDM4E
SCHEMBL3227432 0.82 KDM4E (0.71) LMNAALDH1A1HSD17B10GAAMAPT
SCHEMBL4103347 0.81 GAA (0.50) LMNAALDH1A1HSD17B10GAAMAPT
SCHEMBL4737013 0.79 CYP1A2 (0.49) LMNAALDH1A1HSD17B10GAAKDM4E
SCHEMBL4098277 0.79 CYP1A2 (0.53) LMNAALDH1A1HSD17B10GAAKDM4E
SCHEMBL4880494 0.78 KDM4E (0.49) LMNAALDH1A1HSD17B10GAAMAPT
SCHEMBL4881069 0.78 CYP1A2 (0.48) LMNAALDH1A1HSD17B10GAAKDM4E
SCHEMBL28602409 0.77 SMN1; SMN2 (0.57) LMNAALDH1A1HSD17B10MAPTKDM4E
SCHEMBL4736378 0.76 KDM4E (0.53) LMNAALDH1A1HSD17B10GAAMAPT

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 10 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-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
US-20080027103-A1 Novel Crystalline Forms 1 ASTRAZENECA AB (SE) 2008-01-31 US disclosed
WO-2008004944-A1 NOVEL CRYSTALLINE FORM II ASTRAZENECA AB (SE) 2008-01-10 WO 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-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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 LMNA 1527/4885ALDH1A1 1820/4885HSD17B10 3300/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 LMNA 1598/4885ALDH1A1 1638/4885HSD17B10 4072/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 LMNA 1509/4885ALDH1A1 1274/4885HSD17B10 3283/4885

“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.