SCHEMBL25136179

SCHEMBL25136179

CO[C@H]1CC[C@H](NC(=O)c2nc(-c3cncn3C)cnc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.45
WNT1 P04628 1/20 0.45
DYRK1A Q13627 1/20 0.45
CD38 P28907 13/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
PIK3CB P42338 1/20 0.39
IDH1 O75874 1/20 0.38
ACVR2A P27037 1/20 0.37
TGFBR2 P37173 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
GSK3A P49840 2/20 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
SCHEMBL30182525 1.00 GSK3B (0.45) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL25136068 0.89 ACVR2A (0.48) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL30182674 0.89 GSK3B (0.44) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL25136454 0.89 GSK3B (0.44) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL30182669 0.89 ACVR2A (0.48) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL25136320 0.82 GSK3B (0.46) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL30363866 0.82 GSK3B (0.46) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL30363649 0.82 CD38 (0.62) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL25136139 0.82 CD38 (0.62) GSK3BWNT1DYRK1ACD38CYP2D6
SCHEMBL29182230 0.82 CD38 (0.62) GSK3BWNT1DYRK1ACD38CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CYTOKINETICS, INC. 2023-04-20 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 (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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT GSK3B 395/4885WNT1 3499/4885DYRK1A 1430/4885

“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.