SCHEMBL19086330

SCHEMBL19086330

N#Cc1c(N)sc(CCl)c1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.49
ALDH1A1 P00352 9/20 0.44
HSD17B10 Q99714 5/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 7/20 0.41
ADORA2A P29274 4/20 0.40
ADRA2A P08913 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.40
ADORA1 P30542 5/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL20665497 0.77 GRM6 (0.68) GRM6ALDH1A1HSD17B10ALOX15MAPT
SCHEMBL1798608 0.76 ALDH1A1 (0.64) GRM6ALDH1A1HSD17B10ALOX15MAPT
SCHEMBL3611610 0.73 LMNA (0.39) ALDH1A1MAPTLMNAKDM4EHTT
SCHEMBL8672363 0.72 GRM6 (0.49) GRM6ALDH1A1HSD17B10ALOX15MAPT
SCHEMBL11644815 0.70 GRM6 (0.47) GRM6ALDH1A1HSD17B10ALOX15MAPT
SCHEMBL1982264 0.67 ALDH1A1 (0.41) GRM6ALDH1A1HSD17B10ALOX15MAPT
SCHEMBL12681373 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15MAPTMEN1
SCHEMBL16984845 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15MAPTMEN1
SCHEMBL12679798 0.67 ALDH1A1 (0.55) ALDH1A1HSD17B10ALOX15MAPTMEN1
SCHEMBL10710844 0.66 GRM6 (1.00) GRM6ALDH1A1HSD17B10ALOX15MAPT

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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
EP-3400213-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2018-11-14 EP disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP 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 (1 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 GRM6 3311/4885ALDH1A1 895/4885HSD17B10 2284/4885

“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.