SCHEMBL24615063

SCHEMBL24615063

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.56
▸ ADORA1 P30542 7/20 0.56
▸ ADORA2A P29274 7/20 0.56
▸ PPARG P37231 4/20 0.56
▸ PPARD Q03181 4/20 0.56
▸ HTR2C P28335 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CDK1 P06493 1/20 0.53

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
SCHEMBL24615085 0.92 CDK2 (0.56) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5193584 0.83 CDK1 (0.61) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5196107 0.83 CDK1 (0.64) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL6820864 0.81 CDK1 (0.76) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL448405 0.76 CDK1 (0.74) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL16408099 0.75 ADORA3 (0.54) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL6820865 0.74 PPARG (0.65) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL5192872 0.73 CDK1 (0.79) TP53CYP1A2MAPTMAPK1CDK1
SCHEMBL5196875 0.73 CDK1 (0.83) TP53CYP1A2MAPTMAPK1CDK1
SCHEMBL19807420 0.73 ADORA3 (0.48) ADORA3ADORA1ADORA2APPARGPPARD

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 ADORA3 1/4885ADORA1 3/4885ADORA2A 2/4885

“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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