SCHEMBL3345725

SCHEMBL3345725

Cc1nc2ccc[c]c2cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
IKBKB O14920 1/20 0.40
NNMT P40261 1/20 0.40
PARP1 P09874 3/20 0.39
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
GRM2 Q14416 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
NUDT1 P36639 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3569772 0.77 KDM4E (0.44) KDM4EIKBKBNNMTPARP1HTT
SCHEMBL3340150 0.77 KDM4E (0.51) KDM4EIKBKBNNMTPARP1GRM2
SCHEMBL31443745 0.76 IKBKB (0.67) KDM4EIKBKBNNMTPARP1HSD17B10
SCHEMBL22388 0.76 IKBKB (0.67) KDM4EIKBKBNNMTPARP1HSD17B10
SCHEMBL2902472 0.73 NPY5R (0.41) KDM4EHSD17B10HTTALDH1A1HPGD
SCHEMBL6518076 0.73 KDM4E (0.47) KDM4EIKBKBNNMTPARP1HSD17B10
SCHEMBL5265677 0.72 IRAK4 (0.44) KDM4EIKBKBTP53GRM2ALDH1A1
SCHEMBL20264856 0.71 GRM2 (0.42) GRM2ALDH1A1
SCHEMBL3583270 0.71 DGAT1 (0.36) KDM4EIKBKBPARP1HSD17B10TP53
SCHEMBL3057880 0.71 KDM4E (0.55) KDM4EIKBKBNNMTPARP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 KDM4E 2703/4885IKBKB 1540/4885NNMT 1341/4885

“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.