SCHEMBL20110241

SCHEMBL20110241

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2C)n(-c2ccc(F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
CDKN1A P38936 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.47
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GLA P06280 1/20 0.46
CA2 P00918 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
TP53 P04637 2/20 0.45
CRACR2A Q9BSW2 2/20 0.44
CA1 P00915 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL22060130 0.90 MAPK1 (0.59) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL19668480 0.90 MAPK1 (0.69) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL20110231 0.88 MAPK1 (0.60) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL22060155 0.88 MAPK1 (0.55) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL20110246 0.88 MAPK1 (0.56) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL22060386 0.87 KMT2A (0.66) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL22060135 0.87 MAPK1 (0.56) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL22060131 0.87 MAPK1 (0.50) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL23746372 0.87 MAPK1 (0.54) MAPK1CDKN1AKMT2AMEN1LMNA
SCHEMBL20110229 0.87 MAPK1 (0.57) MAPK1CDKN1AKMT2AMEN1LMNA

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 356/4885KMT2A 938/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPK1 723/4885CDKN1A 7/4885KMT2A 996/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885KMT2A 795/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885KMT2A 795/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 MAPK1 2124/4885CDKN1A 356/4885KMT2A 938/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 MAPK1 2259/4885CDKN1A 594/4885KMT2A 795/4885

“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.