SCHEMBL20110214

SCHEMBL20110214

O=C(Nc1nc(NC(=O)c2cc3ccccc3s2)n(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.72
CDKN1A P38936 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
HIF1A Q16665 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SENP5 Q96HI0 1/20 0.47
SENP2 Q9HC62 1/20 0.47
SENP1 Q9P0U3 1/20 0.47
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47

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 0.85 MAPK1 (1.00) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110238 0.81 MAPK1 (0.77) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL23746381 0.81 MAPK1 (0.81) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110227 0.80 MAPK1 (0.72) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL21990726 0.80 MAPK1 (0.89) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110178 0.78 MAPK1 (0.85) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110265 0.78 MAPK1 (0.85) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL22060371 0.78 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110209 0.78 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2LMNATDP1
SCHEMBL20110248 0.78 MAPK1 (0.84) MAPK1CDKN1ASMN1; SMN2LMNATDP1

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.