SCHEMBL5193584

SCHEMBL5193584

CCC(CC)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc21

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.61
▸ ADORA3 P0DMS8 9/20 0.60
▸ ADORA1 P30542 7/20 0.60
▸ ADORA2A P29274 7/20 0.60
▸ PPARG P37231 7/20 0.57
▸ PPARD Q03181 7/20 0.57
▸ ADORA2B P29275 1/20 0.55

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
SCHEMBL5196107 0.92 CDK1 (0.64) CDK1ADORA3ADORA1ADORA2APPARG
SCHEMBL6820864 0.90 CDK1 (0.76) CDK1ADORA3ADORA1ADORA2APPARG
SCHEMBL5192872 0.87 CDK1 (0.79) CDK1
SCHEMBL448405 0.84 CDK1 (0.74) CDK1ADORA3ADORA1ADORA2APPARG
SCHEMBL24615063 0.83 ADORA3 (0.56) CDK1ADORA3ADORA1ADORA2APPARG
SCHEMBL6820865 0.82 PPARG (0.65) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL6821050 0.79 CDK1 (0.79) CDK1ADORA3ADORA1ADORA2APPARD
SCHEMBL5196875 0.78 CDK1 (0.83) CDK1
SCHEMBL31072387 0.78 CDK1 (0.78) CDK1
SCHEMBL16408099 0.77 ADORA3 (0.54) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183256-B1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2007-08-22 — — EP disclosed
US-7208598-B2 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA (FR) 2007-04-24 — — US disclosed
US-7122669-B1 Purine derivatives, preparation method and pharmaceutical compositions containing same HOECHST MARION ROUSSEL (FR) 2006-10-17 — — US disclosed
US-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2005-08-25 — — US disclosed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 — — EP disclosed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 — — WO 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-20050187228-A1 Derivatives of purine, their preparation process and pharmaceutical compositions containing them CDK6, CDK1, CDK2 CDK1 2/4885ADORA3 320/4885ADORA1 245/4885

“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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