SCHEMBL4959858

SCHEMBL4959858

N#Cc1cnc2c(I)cc([N+](=O)[O-])cc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.49
VCAM1 P19320 5/20 0.41
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GRM6 O15303 1/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
GLA P06280 2/20 0.34
PIN1 Q13526 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4960627 0.86 VCAM1 (0.47) XDHVCAM1HTTGAAALDH1A1
SCHEMBL29354755 0.86 VCAM1 (0.47) XDHVCAM1HTTGAAALDH1A1
SCHEMBL1891197 0.84 VCAM1 (0.41) XDHVCAM1HTTMEN1KMT2A
SCHEMBL4960667 0.84 VCAM1 (0.41) XDHVCAM1HTTLMNAGAA
SCHEMBL4961890 0.84 VCAM1 (0.41) XDHVCAM1HTTGAAALDH1A1
SCHEMBL4960870 0.81 VCAM1 (0.39) XDHVCAM1HTTMEN1KMT2A
SCHEMBL1895755 0.81 EGFR (0.44) VCAM1HTTLMNAKMT2AALDH1A1
SCHEMBL4961962 0.81 ALDH1A1 (0.40) XDHVCAM1HTTGAAALDH1A1
SCHEMBL27728127 0.80 VCAM1 (0.38) XDHVCAM1HTTLMNAGAA
SCHEMBL6644398 0.78 VCAM1 (0.45) XDHVCAM1HTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 WO 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 XDH 2482/4885VCAM1 3621/4885HTT 4249/4885

“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.