SCHEMBL22060173

SCHEMBL22060173

O=C(Nc1ccccc1)c1nc(C(=O)Nc2ccccc2)n(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
ALDH1A1 P00352 5/20 0.55
NPSR1 Q6W5P4 5/20 0.55
KDM4E B2RXH2 4/20 0.55
HPGD P15428 2/20 0.55
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 3/20 0.48
PTGS2 P35354 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ESR1 P03372 1/20 0.46

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
SCHEMBL9781038 0.82 ADORA3 (0.52) TP53ALDH1A1NPSR1KDM4EHPGD
SCHEMBL6228404 0.74 TSHR (0.68) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL9300374 0.74 SMN1; SMN2 (0.65) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL29725680 0.70 RAB9A (0.54) TP53ALDH1A1KDM4EHPGDTSHR
SCHEMBL28768950 0.69 ROCK1 (0.62) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL6070369 0.69 HPGD (0.75) ALDH1A1NPSR1KDM4EHPGDPOLB
SCHEMBL9396422 0.68 PTGS2 (0.45) ALDH1A1KDM4EHPGDTSHRPTGS2
SCHEMBL5958993 0.68 PRKCI (0.59) TP53ALDH1A1KDM4ETSHRPOLB
SCHEMBL19382960 0.66 L3MBTL1 (0.60) TSHRPOLBMAPTMEN1KMT2A
SCHEMBL2860286 0.66 RAB9A (0.87) HPGDPOLBMAPTMEN1KMT2A

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 TP53 1/4885ALDH1A1 2116/4885NPSR1 4488/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 TP53 264/4885ALDH1A1 636/4885NPSR1 4446/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 TP53 264/4885ALDH1A1 636/4885NPSR1 4446/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 TP53 264/4885ALDH1A1 636/4885NPSR1 4446/4885

“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.