SCHEMBL20110218

SCHEMBL20110218

O=C(Nc1nc(NC(=O)c2ccc3ccccc3n2)n(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.75
CDKN1A P38936 1/20 0.62
SMN1; SMN2 Q16637 6/20 0.61
ALDH1A1 P00352 5/20 0.61
TDP1 Q9NUW8 4/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
HTT P42858 2/20 0.61
HIF1A Q16665 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RAB9A P51151 5/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 4/20 0.49
GAA P10253 2/20 0.48
MAPT P10636 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 0.87 MAPK1 (1.00) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20110223 0.83 MAPK1 (0.66) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL23746381 0.82 MAPK1 (0.81) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL21990726 0.82 MAPK1 (0.89) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20110265 0.80 MAPK1 (0.85) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20110178 0.80 MAPK1 (0.85) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL22060371 0.79 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20110248 0.79 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20110209 0.79 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1
SCHEMBL20115768 0.79 MAPK1 (0.82) MAPK1CDKN1ASMN1; SMN2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 US disclosed
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same An2H Discovery Limited (IE) 2019-06-04 US disclosed
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
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 (6 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 356/4885SMN1; SMN2 1999/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPK1 723/4885CDKN1A 7/4885SMN1; SMN2 2456/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 MAPK1 2124/4885CDKN1A 356/4885SMN1; SMN2 1999/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885SMN1; SMN2 2359/4885

“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.