SCHEMBL20529933

SCHEMBL20529933

C=C(c1ccccc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PLA2G4A P47712 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PDPK1 O15530 1/20 0.42
CES1 P23141 1/20 0.42
SCD O00767 1/20 0.41
PLA2G7 Q13093 1/20 0.40
GCK P35557 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GRM5 P41594 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TBXAS1 P24557 1/20 0.37

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
SCHEMBL5669020 0.81 ALDH1A1 (0.40) RBBP9PLA2G4AALDH1A1CES1PLA2G7
SCHEMBL8866092 0.81 ALDH1A1 (0.54) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6154147 0.78 RBBP9 (0.49) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL17627808 0.78 LMNA (0.49) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL9408186 0.78 PLA2G4A (0.38) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6154144 0.77 RBBP9 (0.48) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL2008703 0.77 PLA2G7 (0.57) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6142537 0.77 ALDH1A1 (0.39) RBBP9NPC1RAB9APLA2G4AALDH1A1
Bromide SCHEMBL27504054 0.76 PLA2G7 (0.56) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL16850633 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486289-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof THE BROAD INSTITUTE, INC. (US) 2025-12-02 US disclosed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP disclosed
CN-110958882-B Tricyclic compounds as glycogen synthase kinase 3 (GSK 3) inhibitors and uses thereof 布罗德研究所股份有限公司 2023-08-29 CN disclosed
CN-113248422-B Chiral alpha-aza-arene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2022-07-12 CN disclosed
US-20220112216-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-04-14 US disclosed
US-11203601-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof THE BROAD INSTITUTE, INC. (US) 2021-12-21 US disclosed
CN-113248422-A Chiral alpha-azaarene quaternary carbon center compound, and preparation method and application thereof 河南工业大学 2021-08-13 CN disclosed
US-20200109154-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2020-04-09 US disclosed
CN-110958882-A Tricyclic compounds as glycogen synthase kinase 3(GSK3) inhibitors and uses thereof 布罗德研究所股份有限公司 2020-04-03 CN disclosed
EP-3606528-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF The Broad Institute, Inc. (US) 2020-02-12 EP disclosed
WO-2018187630-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2018-10-11 WO 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-20220112216-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF GSK3A, GSK3B, PYGB RBBP9 2945/4885NPC1 3314/4885RAB9A 3126/4885
US-11203601-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof GSK3A, GSK3B, PYGB RBBP9 2945/4885NPC1 3314/4885RAB9A 3126/4885
US-20200109154-A1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF GSK3A, GSK3B, PYGB RBBP9 2945/4885NPC1 3314/4885RAB9A 3126/4885
US-12486289-B2 Tricyclic compounds as glycogen synthase kinase 3 (GSK3) inhibitors and uses thereof GSK3A, GSK3B, PYGB RBBP9 2945/4885NPC1 3314/4885RAB9A 3126/4885

“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.