SCHEMBL22966560

SCHEMBL22966560

CCOP(=O)(CCN1CCc2nc(C(C)(C)C)ccc2C1)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK6 Q00534 2/20 0.41
▸ PDCD1 Q15116 13/20 0.35
▸ CD274 Q9NZQ7 13/20 0.35
▸ SUV39H2 Q9H5I1 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL21451834 0.85 CDK4 (0.40) CDK4CDK2CDK6PDCD1CD274
SCHEMBL18806181 0.80 CDK4 (0.40) CDK4CDK2CDK6PDCD1CD274
SCHEMBL20255390 0.77 CDK4 (0.43) CDK4CDK2CDK6PDCD1CD274
SCHEMBL20249376 0.77 PDCD1 (0.47) CDK4CDK2CDK6PDCD1CD274
SCHEMBL18806155 0.75 CDK4 (0.44) CDK4CDK2CDK6LMNA
SCHEMBL22966562 0.75 CD274 (0.51) CDK4CDK2CDK6PDCD1CD274
SCHEMBL22966559 0.75 CDK4 (0.42) CDK4CDK2CDK6MAPTLMNA
SCHEMBL20249391 0.75 CDK4 (0.42) CDK4CDK2CDK6
SCHEMBL18819904 0.75 CDK4 (0.41) CDK4PDCD1CD274MAPTLMNA
SCHEMBL18806194 0.75 ADORA2A (0.37) CDK4CDK2CDK6PDCD1CD274

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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2021-02-11 — — 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-20210040118-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF IL2, IL5, TSLP CDK4 2354/4885CDK2 2975/4885CDK6 2011/4885

“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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