SCHEMBL20115757

SCHEMBL20115757

CSc1nc(N)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
ALDH1A1 P00352 3/20 0.58
NUDT1 P36639 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
DCPS Q96C86 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ADORA2A P29274 5/20 0.52
CYP2C19 P33261 1/20 0.52
NR1I3 Q14994 2/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
APP P05067 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 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
SCHEMBL8325338 0.78 KDM4E (0.74) CYP1A2ALDH1A1HPGDL3MBTL1MEN1
SCHEMBL29532939 0.78 KDM4E (0.74) CYP1A2ALDH1A1HPGDL3MBTL1MEN1
SCHEMBL9587545 0.78 KEAP1 (0.44) CYP1A2ALDH1A1NUDT1HPGDHSD17B10
SCHEMBL11165369 0.77 L3MBTL1 (0.56) CYP1A2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL377227 0.74 HSD17B10 (1.00) CYP1A2ALDH1A1NUDT1HPGDHSD17B10
SCHEMBL30080783 0.74 HSD17B10 (1.00) CYP1A2ALDH1A1NUDT1HPGDHSD17B10
SCHEMBL4572143 0.73 NUDT1 (0.58) CYP1A2ALDH1A1NUDT1HPGDHSD17B10
SCHEMBL10568650 0.73 MAP3K5 (0.46) CYP1A2NUDT1HPGDL3MBTL1MEN1
SCHEMBL29375878 0.73 DCPS (1.00) CYP1A2ALDH1A1NUDT1HPGDHSD17B10
SCHEMBL269636 0.73 DCPS (1.00) CYP1A2ALDH1A1NUDT1HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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 CYP1A2 376/4885ALDH1A1 504/4885NUDT1 3323/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 CYP1A2 376/4885ALDH1A1 504/4885NUDT1 3323/4885

“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.