SCHEMBL1798608

SCHEMBL1798608

Cc1sc(N)c(C#N)c1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GRM6 O15303 1/20 0.61
KDM4E B2RXH2 7/20 0.52
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 4/20 0.50
HTT P42858 3/20 0.50
ADORA2A P29274 2/20 0.50
ADRA2A P08913 1/20 0.50
ALOX15 P16050 2/20 0.47
PTPN1 P18031 1/20 0.46
LMNA P02545 3/20 0.46
CASP3 P42574 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
SCHEMBL12960157 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8470075 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4867920 0.83 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL21857518 0.81 ALDH1A1 (0.62) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL20665497 0.81 GRM6 (0.68) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1983278 0.79 ADORA1 (0.51) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4473918 0.77 MAPT (0.58) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL10710844 0.76 GRM6 (1.00) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL8672363 0.76 GRM6 (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL19086330 0.76 GRM6 (0.49) ALDH1A1MAPTMEN1KMT2ANPSR1

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 10 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
CN-108698995-A Inhibitors of PD-1/PD-L1 protein/protein interactions 格罗宁根大学 2018-10-23 CN 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
US-7951806-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2011-05-31 US disclosed
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO., LTD. (JP) 2009-05-14 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 ALDH1A1 895/4885MAPT 3038/4885MEN1 3279/4885
US-20090124620-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 ALDH1A1 800/4885MAPT 2975/4885MEN1 582/4885

“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.