SCHEMBL3347858

SCHEMBL3347858

Cc1ccc(-c2ccc(C)c(C(N)=O)c2)nn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
CASP1 P29466 9/20 0.41
SIRT3 Q9NTG7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ENPP3 O14638 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PIK3CB P42338 1/20 0.38
SYK P43405 1/20 0.38
PARP1 P09874 1/20 0.36
NNMT P40261 1/20 0.36
CHUK O15111 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
SCHEMBL3342888 0.84 NNMT (0.48) P2RX7CASP1MKNK1MKNK2SYK
SCHEMBL11003034 0.80 P2RX7 (0.39) P2RX7CASP1PIK3CBPARP1
SCHEMBL3342845 0.77 ABL1 (0.45) P2RX7SIRT3TDP1ENPP3MKNK1
SCHEMBL3342952 0.77 P2RX7 (0.46) P2RX7SIRT3TDP1MKNK1MKNK2
SCHEMBL3346810 0.76 MKNK1 (0.52) SIRT3TDP1MKNK1MKNK2PIK3CB
SCHEMBL3346188 0.76 SIRT3 (0.45) SIRT3TDP1MKNK1MKNK2PIK3CB
SCHEMBL3347865 0.75 ALDH1A1 (0.42) P2RX7CASP1TDP1
SCHEMBL3346609 0.75 LMNA (0.54) P2RX7SIRT3TDP1
SCHEMBL3342192 0.74 ALPL (0.49) P2RX7
SCHEMBL3342810 0.74 POLB (0.49) SIRT3TDP1MKNK1MKNK2SYK

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 P2RX7 8/4885CASP1 1208/4885SIRT3 315/4885

“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.