SCHEMBL3154359

SCHEMBL3154359

c1csc(-c2nc3c(s2)CNCC3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.50
CD274 Q9NZQ7 8/20 0.50
KDM4E B2RXH2 7/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 1/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
APEX1 P27695 1/20 0.38
PNMT P11086 1/20 0.38

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
SCHEMBL13382632 0.78 RAB9A (0.48) KDM4EL3MBTL1RAB9ANPC1MEN1
SCHEMBL407298 0.77 PDCD1 (0.54) PDCD1CD274RAB9ANPC1TLR9
SCHEMBL12340037 0.76 PDCD1 (0.52) PDCD1CD274KDM4ERAB9ANPC1
Bromide SCHEMBL439705 0.76 PDCD1 (0.53) PDCD1CD274RAB9ANPC1TLR9
Hydrochloric Acid SCHEMBL3441450 0.75 PDCD1 (0.51) PDCD1CD274KDM4ERAB9ANPC1
SCHEMBL12492793 0.73 PDCD1 (0.70) PDCD1CD274TLR9TLR8TLR7
SCHEMBL504649 0.72 PDCD1 (0.49) PDCD1CD274KDM4ERAB9ANPC1
SCHEMBL14305113 0.72 PDCD1 (0.58) PDCD1CD274KDM4EL3MBTL1RAB9A
SCHEMBL31758785 0.72 PDCD1 (0.49) PDCD1CD274KDM4ERAB9ANPC1
SCHEMBL15933625 0.72 PDCD1 (0.48) PDCD1CD274TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2024-11-12 US disclosed
US-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2024-11-07 US disclosed
EP-1828200-B1 BI- AND TRICYCLIC SUBSTITUTED PHENYL METHANONES AS GLYCINE TRANSPORTER I (GLYT-1) INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE. HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
US-7375226-B2 Bi- and tricyclic substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2008-05-20 US disclosed
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator HOFFMANN-LA ROCHE INC. 2006-06-15 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 (3 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-20240368188-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM1 PDCD1 3920/4885CD274 2679/4885KDM4E 904/4885
US-12139498-B1 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM5, CHRM1 PDCD1 3866/4885CD274 2658/4885KDM4E 884/4885
US-20060128713-A1 (6-Chloro-3,4-dihydro-1H-benzo[4,5]thieno[2,3-c]pyridin-2-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone; glyicne transporter 1 (GlyT-1) and N-methyl-D-aspartate (NMDA) receptors inhibitor; psychoses, schizophrenia, attention deficit disorders, Alzheimer's disease; cognition activator GRIN1, GRIA1, GRM1 PDCD1 4497/4885CD274 4284/4885KDM4E 3326/4885

“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.