SCHEMBL20110248

SCHEMBL20110248

CC(=O)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.84
CDKN1A P38936 1/20 0.72
LMNA P02545 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
TDP1 Q9NUW8 6/20 0.67
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 2/20 0.67
HTT P42858 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 2/20 0.51
GLA P06280 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL17799237 0.92 MAPK1 (1.00) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110189 0.90 KDM4E (0.78) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110178 0.87 MAPK1 (0.85) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL21990726 0.86 MAPK1 (0.89) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL22060123 0.85 MAPK1 (0.82) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110265 0.84 MAPK1 (0.85) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL22060371 0.84 MAPK1 (0.84) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110209 0.84 MAPK1 (0.84) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL19668521 0.84 MAPK1 (0.80) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110191 0.84 MAPK1 (0.79) MAPK1CDKN1ALMNASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2018-05-03 US 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-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ATG7, ADRM1 MAPK1 2124/4885CDKN1A 356/4885LMNA 1537/4885

“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.