SCHEMBL4962371

SCHEMBL4962371

Cc1c([N+](=O)[O-])ccc2[nH]cc(C#N)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GRIA1 P42261 2/20 0.40
GRIA2 P42262 2/20 0.40
GRIA3 P42263 2/20 0.40
GRIA4 P48058 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL5259970 0.81 IMPDH2 (0.45) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL7669883 0.73 DYRK1A (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL4961067 0.73 MAPT (0.43) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL2769856 0.71 CRBN (0.44) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL29764392 0.71 CRBN (0.44) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5418172 0.71 VCAM1 (0.51) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL1891369 0.69 CTSV (0.50) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL12426357 0.68 ABCG2 (0.49) IMPDH2IMPDH1
SCHEMBL27174970 0.68 VCAM1 (0.42) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL5257310 0.68 NQO2 (0.49) MAPTGRIA1GRIA2GRIA3GRIA4

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 MAPT 4563/4885GRIA1 2504/4885GRIA2 2639/4885

“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.