SCHEMBL4963254

SCHEMBL4963254

CCOC(=O)C(C#N)=CNc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 6/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GAA P10253 3/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
DHODH Q02127 1/20 0.47
PTP4A1 Q93096 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL4963249 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4960479 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL18375567 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL23899149 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4960482 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL10861285 0.86 MAPT (0.61) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4959548 0.86 NPSR1 (0.65) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4959550 0.86 NPSR1 (0.65) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4960671 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2ANPC1
SCHEMBL4960676 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3975/4885KDM4E 1032/4885LMNA 2364/4885

“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.