SCHEMBL3340606

SCHEMBL3340606

Cc1nc(-c2ccc(C)c(C(N)=O)c2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
MAPK14 Q16539 7/20 0.47
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAF1 P04049 1/20 0.40
NTRK1 P04629 1/20 0.40
HTR1B P28222 1/20 0.40
AOC3 Q16853 2/20 0.40
GSK3B P49841 1/20 0.39
PYGL P06737 1/20 0.39
CHEK2 O96017 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL3340613 0.76 MAPK14 (0.47) HDAC3HDAC6NCOR2MAPK14KDM4E
SCHEMBL3342287 0.75 MKNK2 (0.47) ALDH1A1NTRK1SIRT3TDP1MKNK1
SCHEMBL3346107 0.75 CDC7 (0.39) SIRT3TDP1MAPK1MAP2K4MAPKAPK2
SCHEMBL3342192 0.75 ALPL (0.49) KDM4EHSD17B10CYP1A2CYP2C9
SCHEMBL3342756 0.73 IKBKB (0.39) SIRT3TDP1MAPK1MAP2K4MAPKAPK2
SCHEMBL3342661 0.73 TGFBR1 (0.46) ALDH1A1GSK3BSIRT3TDP1MKNK1
SCHEMBL26107873 0.73 HDAC3 (0.65) HDAC3HDAC6NCOR2MAPK14AOC3
SCHEMBL3346609 0.72 LMNA (0.54) NTRK1SIRT3TDP1MAPK1CYP1A2
SCHEMBL3346118 0.72 SYK (0.40) HSD17B10SIRT3TDP1MKNK1MKNK2
SCHEMBL3342345 0.72 HPGD (0.45) MAPK14HSD17B10MAPK1

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 HDAC3 1490/4885HDAC6 3170/4885NCOR2 1140/4885

“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.