SCHEMBL3347432

SCHEMBL3347432

Cc1cc(Cl)c(CN2CCOCC2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.49
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
JAK2 O60674 3/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
THRB P10828 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CNR2 P34972 3/20 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
SCHEMBL3347437 0.79 CYP2A13 (0.55) CYP2A13TDP1MEN1KMT2ALMNA
SCHEMBL3343069 0.79 CYP11B2 (0.39) MEN1KMT2AMAPTMAPK1HPGD
SCHEMBL4264923 0.78 CYP2A13 (0.62) CYP2A13HCRTR1HCRTR2JAK2JAK1
SCHEMBL13162039 0.76 CHUK (0.53) USP2TSHR
SCHEMBL4262164 0.76 CYP2A13 (0.54) CYP2A13KMT2AMAPTMAPK1KDM4E
SCHEMBL30616059 0.74 HRH3 (0.57) JAK2USP2TSHR
SCHEMBL27808417 0.74 CYP2C9 (0.51) CYP2A13HCRTR1HCRTR2TDP1KMT2A
SCHEMBL3341058 0.74 NNMT (0.39) KMT2AGAAKDM4EPOLB
SCHEMBL3342933 0.74 POLB (0.40) TDP1KMT2AGAAKDM4EPOLB
SCHEMBL28187184 0.72 CYP2A13 (0.52) CYP2A13JAK2JAK1TYK2JAK3

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 2871/4885HCRTR1 176/4885HCRTR2 458/4885

“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.