SCHEMBL4736378

SCHEMBL4736378

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 3/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL3227432 0.85 KDM4E (0.71) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL30918308 0.80 KDM4E (0.63) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL3589122 0.80 KDM4E (0.63) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL2227187 0.80 GAA (0.69) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4103347 0.79 GAA (0.50) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4872924 0.79 HPGD (0.51) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4878761 0.78 ALDH1A1 (0.59) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4098295 0.76 LMNA (0.55) KDM4EHSD17B10GAAL3MBTL1ALDH1A1
SCHEMBL4875331 0.76 P2RY12 (0.56) KDM4EALDH1A1CYP2C9CYP3A4P2RY12
SCHEMBL4874531 0.76 KDM4E (0.60) KDM4EHSD17B10GAAL3MBTL1ALDH1A1

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-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080176827-A1 New Pyridine Analogues VII 543 ASTRAZENECA AB (SE) 2008-07-24 US disclosed
WO-2008085118-A1 PYRIDINE COMPOUNDS AND THEIR USE AS P2Y12 ANTAGONISTS. ASTRAZENECA AB (SE) 2008-07-17 WO disclosed
EP-1904474-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2008-04-02 EP disclosed
WO-2007008140-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2007-01-18 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-20080176827-A1 New Pyridine Analogues VII 543 P2RY12, P2RY11, P2RY4 KDM4E 2906/4885HSD17B10 3380/4885GAA 3204/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 KDM4E 1759/4885HSD17B10 3283/4885GAA 3253/4885

“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.