SCHEMBL24615085

SCHEMBL24615085

CCC(C(=O)O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.56
▸ CDK9 P50750 1/20 0.56
▸ CDK1 P06493 2/20 0.55
▸ ADORA3 P0DMS8 10/20 0.53
▸ ADORA1 P30542 7/20 0.53
▸ ADORA2A P29274 6/20 0.53
▸ HTR2B P41595 2/20 0.52
▸ TMIGD3 P0DMS9 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ PPARD Q03181 5/20 0.51
▸ PPARG P37231 1/20 0.47
▸ CCNE1 P24864 1/20 0.47

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
SCHEMBL24615063 0.92 ADORA3 (0.56) CDK1ADORA3ADORA1ADORA2AHTR2B
SCHEMBL6821050 0.80 CDK1 (0.79) CDK2CDK9CDK1ADORA3ADORA1
SCHEMBL5192872 0.74 CDK1 (0.79) CDK2CDK9CDK1CCNE1
SCHEMBL5196875 0.74 CDK1 (0.83) CDK2CDK9CDK1CCNE1
SCHEMBL5196107 0.73 CDK1 (0.64) CDK1ADORA3ADORA1ADORA2APPARD
SCHEMBL5193584 0.73 CDK1 (0.61) CDK1ADORA3ADORA1ADORA2APPARD
SCHEMBL1443862 0.73 CDK1 (0.76) CDK2CDK9CDK1
SCHEMBL3295975 0.73 CDK2 (0.66) CDK2CDK9CDK1CCNE1
SCHEMBL3677785 0.72 CDK2 (1.00) CDK2CDK9CDK1CCNE1
SCHEMBL3302130 0.72 CDK2 (1.00) CDK2CDK9CDK1CCNE1

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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE SAINT LOUIS UNIVERSITY 2022-07-14 — — 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-20220218712-A1 TREATMENT OF ALZHEIMER'S DISEASE ADORA3, ADORA2A, ADORA1 CDK2 3314/4885CDK9 3225/4885CDK1 3339/4885

“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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