SCHEMBL4960442

SCHEMBL4960442

CCC(Nc1ccc([N+](=O)[O-])cc1)=C(C#N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
POLB P06746 2/20 0.50
KMT2A Q03164 10/20 0.49
MEN1 O00255 9/20 0.49
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
NAMPT P43490 1/20 0.46
MITF O75030 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 2/20 0.45
MMP14 P50281 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6071705 0.82 MEN1 (0.49) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL7125256 0.82 DHODH (0.47) MAPTKMT2AMEN1SMN1; SMN2HPGD
SCHEMBL9079723 0.82 POLB (0.57) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL8809992 0.82 POLB (0.57) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL11488642 0.81 POLB (0.55) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL9176618 0.74 POLB (0.50) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL9176622 0.74 POLB (0.50) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL28811202 0.74 MAPT (0.49) MAPTPOLBSMN1; SMN2ALDH1A1NPC1
SCHEMBL1706183 0.74 KMT2A (0.65) MAPTPOLBKMT2AMEN1LMNA
SCHEMBL4960436 0.72 MAPT (0.53) MAPTPOLBKMT2AMEN1LMNA

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 MAPT 4563/4885POLB 2825/4885KMT2A 1686/4885

“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.