SCHEMBL6071816

SCHEMBL6071816

N#Cc1ccc2cc(C3(N)CCCCN3C(=O)O)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.37
SCN9A Q15858 8/20 0.36
SCN7A Q01118 2/20 0.33
KCNH2 Q12809 2/20 0.33
SYK P43405 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 2/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1078194 0.72 RAF1 (0.40) ALDH1A1MAPTKDM4E
SCHEMBL3393922 0.70 MEN1 (0.47) KCNH2ALDH1A1LMNA
SCHEMBL1078190 0.70 EPHX2 (0.34) ALDH1A1MAPTBLMKDM4E
SCHEMBL21683027 0.69 HSD11B1 (0.41) ALDH1A1LMNAHSD17B10
SCHEMBL18285758 0.68 ALDH1A1 (0.33) ALDH1A1MAPTBLMLMNAKDM4E
SCHEMBL18285754 0.68 ALDH1A1 (0.33) ALDH1A1MAPTBLMLMNAKDM4E
SCHEMBL15411209 0.67 SMN1; SMN2 (0.37) ALDH1A1MAPTALOX15HSD17B10
SCHEMBL23277677 0.66
SCHEMBL3391147 0.66 HSD11B1 (0.44) ALDH1A1LMNA
SCHEMBL23277680 0.65

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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 NQO1 1057/4885SCN9A 4474/4885SCN7A 2375/4885

“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.