SCHEMBL3342234

SCHEMBL3342234

Cc1nccc(-c2ccc(C)c(C(N)=O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TGFBR1 P36897 1/20 0.44
MAP4K4 O95819 2/20 0.43
MAPT P10636 1/20 0.43
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
LMNA P02545 1/20 0.43
DNMT3B Q9UBC3 2/20 0.43
CAMKK2 Q96RR4 1/20 0.43
SYK P43405 1/20 0.43
PIK3CB P42338 1/20 0.42
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL11002686 0.81 AURKA (0.47) KMOKDM4EALDH1A1POLBTGFBR1
SCHEMBL3080629 0.78 MAPT (0.53) KMOKDM4EALDH1A1POLBMAPT
SCHEMBL1965714 0.77 KDM4E (0.57) KMOKDM4EALDH1A1POLBMAPT
SCHEMBL3346124 0.77 PIK3CB (0.67) MAP4K4PIK3CBSIRT3TDP1MKNK1
SCHEMBL3346928 0.77 SIRT3 (0.53) SYKPIK3CBSIRT3TDP1MKNK1
Hydrochloric Acid SCHEMBL4630417 0.77 MAPT (0.52) KMOTGFBR1MAPTGSK3BDNMT3B
SCHEMBL3342661 0.77 TGFBR1 (0.46) ALDH1A1TGFBR1MAP4K4GSK3BCAMKK2
SCHEMBL3342237 0.76 KDM4E (0.53) KMOKDM4EALDH1A1POLBMAPT
SCHEMBL3342287 0.75 MKNK2 (0.47) ALDH1A1MAP4K4MAPTIRAK4SYK
SCHEMBL3342845 0.75 ABL1 (0.45) GSK3BSYKPIK3CBSIRT3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 KMO 3322/4885KDM4E 2591/4885ALDH1A1 1506/4885

“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.