SCHEMBL25136255

SCHEMBL25136255

CO[C@H]1CC[C@H](NC(=O)c2cc(C(C)(C)O)nc(-c3cncn3C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 14/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
HPGDS O60760 2/20 0.40
CCNA2 P20248 2/20 0.36
CDK2 P24941 2/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL29182239 1.00 CD38 (0.46) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL30182602 1.00 CD38 (0.46) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL29182229 0.91 CD38 (0.46) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL25135976 0.91 CD38 (0.46) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL30182904 0.91 CD38 (0.46) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL30363822 0.87 CD38 (0.49) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL29182179 0.87 CD38 (0.49) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL25136495 0.87 CD38 (0.49) CD38CYP2D6CYP2B6CYP2C19WNT1
SCHEMBL25136199 0.86 HPGDS (0.35) CD38CYP2D6CYP2B6WNT1GSK3B
SCHEMBL29182168 0.86 HPGDS (0.35) CD38CYP2D6CYP2B6WNT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
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 CD38 1/4885CYP2D6 1605/4885CYP2B6 2184/4885

“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.