SCHEMBL20110228

SCHEMBL20110228

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2cccnc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.54
KDM4E B2RXH2 4/20 0.48
MAPT P10636 2/20 0.48
CDKN1A P38936 1/20 0.48
TYK2 P29597 1/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAMPT P43490 1/20 0.45
ATM Q13315 1/20 0.44
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL22060703 0.91 MAPK1 (0.65) MAPK1KDM4EMAPTCDKN1AHTT
SCHEMBL20115814 0.89 MAPK1 (0.49) MAPK1KDM4EMAPTCDKN1ATYK2
SCHEMBL19668480 0.88 MAPK1 (0.69) MAPK1KDM4EMAPTCDKN1ATYK2
SCHEMBL20110229 0.87 MAPK1 (0.57) MAPK1KDM4EMAPTCDKN1ATYK2
SCHEMBL22060174 0.86 MAPK1 (0.55) MAPK1KDM4EMAPTCDKN1AHTT
SCHEMBL22060170 0.85 KMT2A (0.56) MAPK1KDM4ECDKN1AHTTALDH1A1
SCHEMBL22060701 0.85 MAPK1 (0.54) MAPK1KDM4EMAPTCDKN1AHTT
SCHEMBL22060190 0.85 MAPK1 (0.62) MAPK1KDM4ECDKN1ATYK2HTT
SCHEMBL20110239 0.84 MAPK1 (0.68) MAPK1KDM4EMAPTCDKN1ATYK2
SCHEMBL22060395 0.84 MAPK1 (0.68) MAPK1KDM4EMAPTCDKN1ATYK2

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 2124/4885KDM4E 2214/4885MAPT 1275/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPK1 723/4885KDM4E 1308/4885MAPT 3369/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MAPT 1670/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MAPT 1670/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 MAPK1 2124/4885KDM4E 2214/4885MAPT 1275/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885KDM4E 2376/4885MAPT 1670/4885

“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.