SCHEMBL3347437

SCHEMBL3347437

Cc1cc(Cl)c(CN2CCOCC2)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 6/20 0.55
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL10716526 0.82 CYP2A13 (0.55) CYP2A13TDP1MAPTL3MBTL1KDM4E
SCHEMBL3347432 0.79 CYP2A13 (0.49) CYP2A13KMT2ATDP1MEN1LMNA
SCHEMBL23213276 0.76 CYP2A13 (0.51) CYP2A13KMT2ATDP1MEN1LMNA
SCHEMBL14984901 0.76 CYP2A13 (0.51) CYP2A13KMT2ATDP1MEN1LMNA
SCHEMBL29739690 0.76 CYP2A13 (0.51) CYP2A13KMT2ATDP1MEN1LMNA
SCHEMBL12569577 0.75 CYP2A13 (0.61) CYP2A13KMT2ATDP1MEN1LMNA
SCHEMBL11961576 0.75 CYP2A13 (0.71) CYP2A13TDP1LMNAGAAMAPT
SCHEMBL520610 0.75 CYP2A13 (0.61) CYP2A13TDP1GAAMAPTKDM4E
SCHEMBL30900092 0.75 CYP2A13 (0.71) CYP2A13TDP1GAAMAPTKDM4E
SCHEMBL4264928 0.75 CYP2A13 (0.71) CYP2A13TDP1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393781-B1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 US 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 (1 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-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 CYP2A13 2871/4885KMT2A 3901/4885TDP1 1355/4885

“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.