SCHEMBL15614736

SCHEMBL15614736

COc1ccc(C(=O)Nc2nc(NC(=O)c3ccc(F)cc3)nn2-c2ccccc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDKN1A P38936 1/20 0.87
ALDH1A1 P00352 4/20 0.72
MAPK1 P28482 3/20 0.68
TDP1 Q9NUW8 3/20 0.63
LMNA P02545 4/20 0.58
GLA P06280 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
HIF1A Q16665 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ADORA3 P0DMS8 3/20 0.55
MAPT P10636 2/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
GRM5 P41594 1/20 0.48
GAA P10253 1/20 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
SCHEMBL22060317 0.94 CDKN1A (0.98) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL19668478 0.92 CDKN1A (0.74) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL20110226 0.90 CDKN1A (0.93) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL20110265 0.90 MAPK1 (0.85) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL16941537 0.85 MAPK1 (0.68) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL22060138 0.82 CDKN1A (0.79) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL17799237 0.82 MAPK1 (1.00) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL22060123 0.81 MAPK1 (0.82) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL20110178 0.80 MAPK1 (0.85) CDKN1AALDH1A1MAPK1TDP1LMNA
SCHEMBL21990726 0.80 MAPK1 (0.89) CDKN1AALDH1A1MAPK1TDP1LMNA

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 15 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 claimed
EP-3463347-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2019-04-10 EP claimed
WO-2017210694-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 WO claimed
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
EP-3781287-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NysnoBio Ireland DAC (IE) 2021-02-24 EP 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
EP-3463347-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2019-04-10 EP 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
WO-2017210694-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME An2H Discovery Limited (IE) 2017-12-07 WO disclosed
US-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS LEIBNIZ-INSTITUT FÜR ALTERSFORSCHUNG (DE) 2015-07-30 US disclosed
WO-2014041125-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS BADEN-WÜRTTEMBERG STIFTUNG GMBH (DE) 2014-03-20 WO 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 (7 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 CDKN1A 356/4885ALDH1A1 504/4885MAPK1 2124/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 CDKN1A 7/4885ALDH1A1 2116/4885MAPK1 723/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 CDKN1A 594/4885ALDH1A1 636/4885MAPK1 2259/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 CDKN1A 594/4885ALDH1A1 636/4885MAPK1 2259/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 CDKN1A 356/4885ALDH1A1 504/4885MAPK1 2124/4885
US-20150210717-A1 SPECIFIC INHIBITORS OF PROTEIN P21 AS THERAPEUTIC AGENTS CDKN1A, ING2, BCCIP CDKN1A 1/4885ALDH1A1 1754/4885MAPK1 692/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 CDKN1A 594/4885ALDH1A1 636/4885MAPK1 2259/4885

“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.