SCHEMBL4960657

SCHEMBL4960657

Cc1nc2ccc([N+](=O)[O-])cc2c(Cl)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 4/20 0.45
VCAM1 P19320 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9794607 0.86 KMT2A (0.48) KMT2AOPRK1MEN1VCAM1ABCG2
SCHEMBL940754 0.84 ACHE (0.47) KMT2AOPRK1MEN1VCAM1ABCG2
SCHEMBL19877148 0.79 KDM4E (0.48) KMT2AMEN1ALDH1A1MAPT
SCHEMBL19877274 0.79 LMNA (0.49) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL4962418 0.77 MAP3K8 (0.59) ABCG2ALDH1A1POLBLMNARAB9A
SCHEMBL19889943 0.76 RXFP1 (0.58) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL19877209 0.76 CASP3 (0.44) HTTSMN1; SMN2POLBLMNA
SCHEMBL6505699 0.75 KMT2A (0.63) KMT2AOPRK1MEN1HTTSMN1; SMN2
SCHEMBL19889941 0.74 KDM4E (0.60) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL9794632 0.73 ALDH1A1 (0.44) KMT2AOPRK1MEN1VCAM1ABCG2

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 KMT2A 1686/4885OPRK1 653/4885MEN1 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.