SCHEMBL4729501

SCHEMBL4729501

COc1cncc2ccc(C#N)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.43
AR P10275 2/20 0.41
SLC22A12 Q96S37 4/20 0.41
CLK1 P49759 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
SCN9A Q15858 1/20 0.40
BRAF P15056 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALPL P05186 1/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL29192506 0.78 SLC22A12 (0.45) SLC22A12SCN9A
SCHEMBL6100006 0.77 ACHE (0.57) HPGDSARGAKRIPK2COQ8A
SCHEMBL30824358 0.76 CYP11B1 (0.53) CLK1CDK5DYRK1ACDK5R1CLK2
SCHEMBL15647524 0.76 CYP11B1 (0.53) CLK1CDK5DYRK1ACDK5R1CLK2
SCHEMBL4729352 0.75 IDO1 (0.42) GAKRIPK2COQ8ANLKCYP11B2
SCHEMBL17436939 0.75 SLC22A12 (0.44) SLC22A12CDK5CDK5R1CYP11B2
SCHEMBL26317676 0.75 PDE10A (0.43) BRAFCYP11B2PDE10A
SCHEMBL7337530 0.73 AR (0.46) HPGDSARGAKRIPK2COQ8A
SCHEMBL7723749 0.73 AR (0.50) HPGDSARGAKRIPK2COQ8A
SCHEMBL7344856 0.72 AR (0.45) ARGAKRIPK2COQ8ANLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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 (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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR HPGDS 861/4885AR 1322/4885SLC22A12 3799/4885
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR HPGDS 111/4885AR 989/4885SLC22A12 4008/4885

“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.