SCHEMBL6071202

SCHEMBL6071202

CN(C)C(=O)c1cc([N+](=O)[O-])cc2c(Cl)c(C#N)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.39
MAP3K8 P41279 1/20 0.38
GAA P10253 1/20 0.37
VCAM1 P19320 4/20 0.36
GLA P06280 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
TP53 P04637 1/20 0.33
SLC6A4 P31645 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
LRRK2 Q5S007 1/20 0.32

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
SCHEMBL27728127 0.85 VCAM1 (0.38) HTTGAAVCAM1GLAALDH1A1
SCHEMBL6071960 0.80 MAP3K8 (0.51) MAP3K8
SCHEMBL1891197 0.80 VCAM1 (0.41) KMT2AMEN1HTTGAAVCAM1
SCHEMBL29354755 0.80 VCAM1 (0.47) HPGDHTTMAPTGAAVCAM1
SCHEMBL4960627 0.80 VCAM1 (0.47) HPGDHTTMAPTGAAVCAM1
SCHEMBL4959858 0.77 XDH (0.49) KMT2AHPGDMEN1HTTMAPT
SCHEMBL4961890 0.77 VCAM1 (0.41) HPGDHTTMAPTMAP3K8GAA
SCHEMBL4960667 0.77 VCAM1 (0.41) HPGDHTTMAPTGAAVCAM1
SCHEMBL4960870 0.77 VCAM1 (0.39) KMT2AHPGDMEN1HTTMAPT
SCHEMBL1895755 0.77 EGFR (0.44) KMT2AHTTMAPTVCAM1ALDH1A1

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 KMT2A 1686/4885HPGD 2056/4885MEN1 3896/4885

“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.