SCHEMBL16166118

SCHEMBL16166118

Cc1cccnc1-n1ncc(C(=O)N(C)c2ccc[n+]([O-])c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SPR P35270 3/20 0.35
OXTR P30559 3/20 0.34
HTR2C P28335 2/20 0.34
NOTUM Q6P988 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL16166157 0.83 KMT2A (0.47) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16173941 0.73 KMT2A (0.51) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16166004 0.73 KMT2A (0.46) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16166174 0.73 MYC (0.50) KMT2AMEN1NPC1RAB9ASPR
SCHEMBL18404054 0.73 KMT2A (0.37) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16173947 0.72 KMT2A (0.45) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16166012 0.71 KMT2A (0.44) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16166048 0.71 KMT2A (0.46) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16166020 0.70 MAPT (0.54) KMT2ANPC1RAB9ASPRMAPK13
SCHEMBL16166317 0.69 KMT2A (0.44) KMT2AMEN1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750253-B2 Pesticidally active substituted pyridyl carboxamides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-9750253-B2 Pesticidally active substituted pyridyl carboxamides SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
EP-2984083-B1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-25 EP disclosed
US-20160050924-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 US disclosed
US-20160050924-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2016-02-25 US disclosed
EP-2984083-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES Syngenta Participations AG (CH) 2016-02-17 EP disclosed
WO-2014166795-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 WO disclosed
WO-2014166795-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 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-20160050924-A1 PESTICIDALLY ACTIVE SUBSTITUTED PYRIDYL CARBOXAMIDES CBR3, CBR1, CYCS KMT2A 1902/4885MEN1 361/4885NPC1 3544/4885

“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.