SCHEMBL5193280

SCHEMBL5193280

N[C@H]1CC[C@H](Nc2nc(NCc3ccc(C(=O)O)cc3)c3ncn(C4CCCC4)c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.80
▸ CDK1 P06493 17/20 0.80
▸ CCNE1 P24864 17/20 0.80
▸ FLT3 P36888 4/20 0.80
▸ CCNE2 O96020 4/20 0.80
▸ CCNB2 O95067 3/20 0.80
▸ CDK4 P11802 3/20 0.80
▸ CCNB1 P14635 3/20 0.80
▸ CCND1 P24385 3/20 0.80
▸ CCNB3 Q8WWL7 3/20 0.80
▸ CCNA2 P20248 1/20 0.78
▸ CCNA1 P78396 1/20 0.78
▸ PDGFRA P16234 2/20 0.73
▸ CCNT1 O60563 1/20 0.67
▸ CDK7 P50613 1/20 0.67
▸ CDK9 P50750 1/20 0.67
▸ CCNH P51946 1/20 0.67
▸ MNAT1 P51948 1/20 0.67
▸ CDK5 Q00535 1/20 0.67
▸ CDK5R1 Q15078 1/20 0.67

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
SCHEMBL5193267 1.00 CDK2 (0.80) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL15941042 0.97 CDK2 (0.83) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL5194304 0.93 CDK2 (0.71) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL15940702 0.91 CDK2 (0.83) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL5196111 0.90 CDK2 (0.78) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL5196126 0.90 CDK2 (0.78) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL15940978 0.90 CDK2 (0.71) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL4314535 0.89 CDK2 (1.00) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL4314539 0.89 CDK2 (1.00) CDK2CDK1CCNE1FLT3CCNE2
SCHEMBL17352625 0.89 CDK2 (0.69) CDK2CDK1CCNE1FLT3CCNE2

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 10 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 claimed
JP-2003500407-A — — 2003-01-07 — — JP claimed
EP-1183256-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2002-03-06 — — EP claimed
WO-2000071543-A1 PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-11-30 — — WO claimed
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 CDK2 3/4885CDK1 2/4885CCNE1 4/4885

“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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