SCHEMBL3342644

SCHEMBL3342644

Cc1cc(-c2cccc(C(N)=O)c2)n(C)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
FYN P06241 8/20 0.49
PARP1 P09874 2/20 0.47
CTSA P10619 1/20 0.46
PDE4D Q08499 1/20 0.45
PDE7A Q13946 1/20 0.45
PLA2G10 O15496 1/20 0.44
MAP2K4 P45985 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
TLR8 Q9NR97 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
BRD4 O60885 1/20 0.41
GRM5 P41594 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
SCHEMBL27500938 0.82 CTSA (0.43) ALDH1A1HPGDFYNCTSAPDE4D
SCHEMBL3662335 0.78 FYN (0.47) FYNPARP1CTSAPDE4DPDE7A
SCHEMBL3346251 0.78 PARP1 (0.49) ALDH1A1FYNPARP1PDE4DPDE7A
SCHEMBL3347972 0.77 GPR52 (0.43) ALDH1A1HPGDCTSAPDE4DPDE7A
SCHEMBL3342646 0.76 MAP4K4 (0.42) FYNCTSABRD4
SCHEMBL19296077 0.76 RAB9A (0.44) ALDH1A1HPGDCTSATLR8GRM5
SCHEMBL6756716 0.75 FYN (0.54) FYNPARP1TLR8PIK3CDPIK3R1
SCHEMBL3377975 0.73 PARP1 (0.51) PARP1PDE4DPDE7AMAP2K4PARP15
SCHEMBL798894 0.73 FYN (0.52) FYN
SCHEMBL680089 0.73 NPC1 (0.61) ALDH1A1HPGDCTSAGRM5

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 ALDH1A1 1506/4885HPGD 925/4885FYN 3084/4885

“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.