SCHEMBL3342845

SCHEMBL3342845

Cc1cnc(-c2ccc(C)c(C(N)=O)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
P2RX7 Q99572 1/20 0.45
PIK3CB P42338 1/20 0.43
SIRT3 Q9NTG7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NNMT P40261 2/20 0.42
LDHA P00338 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LDHB P07195 1/20 0.40
GSK3B P49841 3/20 0.40
SYK P43405 1/20 0.39
PARP1 P09874 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM1A O60341 1/20 0.37
BRD4 O60885 1/20 0.36
ENPP3 O14638 1/20 0.36

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
SCHEMBL3342952 0.82 P2RX7 (0.46) P2RX7PIK3CBSIRT3TDP1NNMT
SCHEMBL3346810 0.81 MKNK1 (0.52) PIK3CBSIRT3TDP1NNMTMKNK1
SCHEMBL3346928 0.81 SIRT3 (0.53) ABL1PIK3CBSIRT3TDP1NNMT
SCHEMBL3346188 0.78 SIRT3 (0.45) PIK3CBSIRT3TDP1NNMTLDHA
SCHEMBL3466788 0.77 CASP1 (0.50) P2RX7NNMTMKNK1MKNK2SYK
SCHEMBL3347858 0.77 P2RX7 (0.44) P2RX7PIK3CBSIRT3TDP1NNMT
SCHEMBL3467721 0.76 CASP1 (0.49) P2RX7SIRT3TDP1PARP1KDM1A
SCHEMBL3342851 0.76 CYP11B1 (0.46) ABL1TDP1KDM1A
SCHEMBL3346124 0.75 PIK3CB (0.67) ABL1PIK3CBSIRT3TDP1MKNK1
SCHEMBL3346644 0.75 CHEK2 (0.49) P2RX7PIK3CBSIRT3TDP1NNMT

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 ABL1 2468/4885P2RX7 8/4885PIK3CB 3229/4885

“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.