SCHEMBL20569405

SCHEMBL20569405

Clc1nc(NC2CCCc3ccccc32)c2cccnc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
GLP1R P43220 1/20 0.47
AURKA O14965 2/20 0.46
RPS6KB1 P23443 2/20 0.46
AURKB Q96GD4 1/20 0.46
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NSD2 O96028 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7830700 0.82 AURKA (0.59) GBA1AURKARPS6KB1AURKBLMNA
SCHEMBL22872847 0.82 GBA1 (0.51) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL22872846 0.82 GBA1 (0.51) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL22872979 0.82 GBA1 (0.51) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL30831931 0.82 GBA1 (0.51) GBA1GLP1RAURKARPS6KB1AURKB
Hydrochloric Acid SCHEMBL7837066 0.81 AURKA (0.58) GBA1AURKARPS6KB1AURKBLMNA
SCHEMBL30831933 0.79 GBA1 (0.48) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL22872832 0.79 GBA1 (0.48) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL30831919 0.73 GLP1R (0.50) GBA1GLP1RAURKARPS6KB1AURKB
SCHEMBL22872884 0.73 GLP1R (0.50) GBA1GLP1RAURKARPS6KB1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630759-B1 COMPOUNDS USEFUL AS ION CHANNEL INHIBITORS FOR THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-05-01 EP disclosed
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 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 (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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 GBA1 785/4885GLP1R 1329/4885AURKA 362/4885

“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.