SCHEMBL4960562

SCHEMBL4960562

N#Cc1cnc2c(OCC(O)CO)cc([N+](=O)[O-])cc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 16/20 0.65
EGFR P00533 9/20 0.49
ERBB2 P04626 2/20 0.49
CYP3A4 P08684 2/20 0.47
MAPKAPK2 P49137 2/20 0.47
SRC P12931 2/20 0.46
PRKACA P17612 2/20 0.46
PRKACG P22612 2/20 0.46
PRKACB P22694 2/20 0.46
IKBKB O14920 1/20 0.46
MMP3 P08254 1/20 0.46
PRKCA P17252 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL4961632 0.86 MAP3K8 (0.70) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4959780 0.85 EGFR (0.64) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4961398 0.85 MAP3K8 (0.53) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4960605 0.83 MAP3K8 (0.65) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4964463 0.83 MAP3K8 (0.59) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4960545 0.82 MAP3K8 (0.59) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4960791 0.81 MAP3K8 (0.57) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4962214 0.79 MAP3K8 (0.60) MAP3K8EGFRERBB2CYP3A4MAPKAPK2
SCHEMBL4963309 0.79 MAP3K8 (1.00) MAP3K8EGFRCYP3A4MAPKAPK2SRC
SCHEMBL4961376 0.79 MAP3K8 (0.54) MAP3K8EGFRERBB2CYP3A4MAPKAPK2

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 MAP3K8 84/4885EGFR 4122/4885ERBB2 1721/4885

“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.