SCHEMBL6883498

SCHEMBL6883498

COc1cccc2c1CCc1sc(N)nc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MPI P34949 1/20 0.53
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
LTK P29376 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK8 P49336 1/20 0.46
LIMK1 P53667 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
LRRK2 Q5S007 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL28014847 0.78 ADORA1 (0.48) ADORA1KDM4EALDH1A1MAPTMPI
SCHEMBL2762751 0.74 KDM4E (0.67) ADORA1KDM4EALDH1A1MAPTMPI
SCHEMBL14172770 0.73 ALDH1A1 (0.48) ADORA1KDM4EALDH1A1MAPTCYP3A4
SCHEMBL4490633 0.72 ADORA1 (0.42) ADORA1KDM4EALDH1A1MAPTMPI
SCHEMBL1745165 0.71 ADORA1 (0.97) ADORA1KDM4EALDH1A1MAPTMPI
SCHEMBL30953833 0.71 ADORA1 (0.97) ADORA1KDM4EALDH1A1MAPTMPI
SCHEMBL8022641 0.70 ACHE (0.81) KDM4EALDH1A1NPC1RAB9AACHE
Iodide SCHEMBL4957487 0.70 ADORA1 (1.00) ADORA1KDM4EALDH1A1MAPTMPI
Iodide SCHEMBL3994859 0.70 ADORA1 (0.59) ADORA1KDM4EALDH1A1CHEK1DAPK3
SCHEMBL6885965 0.69 MAPT (1.00) ADORA1KDM4EALDH1A1MAPTMPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-16 US disclosed
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE UNIV CALIFORNIA (US) 2017-03-02 US disclosed
WO-2015164816-A2 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+-ACTIVATED K+ CHANNEL KCA3.1 AND THEIR METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 WO disclosed
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin PHARMACIA ITALIA S.P.A. (IT) 2004-10-14 US disclosed
EP-1406889-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN Pharmacia Italia S.p.A. (IT) 2004-04-14 EP disclosed
WO-2003006447-A2 INTERACTION INHIBITORS OF TCF-4 WITH BETA-CATENIN PHARMACIA ITALIA SPA (IT) 2003-01-23 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 (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-11173146-B2 Selective activators of the intermediate conductance CA2+activated K+ channel KCa3.1 and their methods of use KCNN3, KCNN1, KCNN2 ADORA1 472/4885KDM4E 1597/4885ALDH1A1 3038/4885
US-20040204477-A1 Interaction inhibitors of tcf-4 with beta-catenin TCF4, TCF7, TCF7L2 ADORA1 4204/4885KDM4E 1700/4885ALDH1A1 1043/4885
US-20170056376-A1 SELECTIVE ACTIVATORS OF THE INTERMEDIATE CONDUCTANCE CA2+ACTIVATED K+ CHANNEL KCa3.1 AND THEIR METHODS OF USE KCNN3, KCNN1, KCNN2 ADORA1 472/4885KDM4E 1597/4885ALDH1A1 3038/4885

“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.