SCHEMBL25136169

SCHEMBL25136169

CCO[C@H]1CC[C@H](NC(=O)c2ccnc(-n3ccnc3)n2)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 20/20 0.84
▸ CYP2D6 P10635 1/20 0.81
▸ CYP2B6 P20813 1/20 0.81
▸ CYP2C19 P33261 1/20 0.81

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
SCHEMBL25135802 1.00 CD38 (0.84) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135803 0.91 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135990 0.91 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135859 0.90 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25136022 0.90 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25136138 0.86 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL29182237 0.86 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL30040406 0.86 CD38 (1.00) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135870 0.85 CD38 (0.83) CD38CYP2D6CYP2B6CYP2C19
SCHEMBL25135925 0.85 CD38 (0.83) CD38CYP2D6CYP2B6CYP2C19

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
US-20230158024-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-05-25 — — US 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 (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-20230116972-A1 CD38 MODULATORS AND METHODS OF USE THEREOF CD38, CXCR4, FCGRT CD38 1/4885CYP2D6 1605/4885CYP2B6 2184/4885
US-20230158024-A1 CD38 INHIBITORS CD38, NQO1, NDUFAB1 CD38 1/4885CYP2D6 1675/4885CYP2B6 3067/4885

“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.

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