SCHEMBL5195256

SCHEMBL5195256

COc1ccc(Nc2nc(Cl)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.60
▸ TDP1 Q9NUW8 1/20 0.57
▸ PDGFRA P16234 4/20 0.56
▸ CCNE1 P24864 2/20 0.53
▸ CDK2 P24941 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ SCTR P47872 1/20 0.52
▸ CCNE2 O96020 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SRC P12931 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL6947470 0.86 FLT3 (0.52) FLT3PDGFRACCNE1CDK2SCTR
SCHEMBL21967316 0.86 YTHDC1 (0.68) FLT3TDP1PDGFRACCNE1CDK2
SCHEMBL6396640 0.85 FLT3 (0.65) FLT3PDGFRACCNE1CDK2NPC1
SCHEMBL5194070 0.85 FLT3 (0.64) FLT3PDGFRACCNE1CDK2SCTR
SCHEMBL21967513 0.85 YTHDC1 (0.63) FLT3PDGFRACCNE1CDK2CCNE2
SCHEMBL6945642 0.84 TDP1 (0.80) FLT3TDP1CCNE1CDK2CTSL
SCHEMBL5195445 0.83 SCTR (0.63) FLT3PDGFRACCNE1CDK2SCTR
SCHEMBL5195937 0.83 FLT3 (0.55) FLT3PDGFRACCNE1CDK2NPC1
SCHEMBL21802056 0.83 FLT3 (0.67) FLT3PDGFRACCNE1CDK2SCTR
SCHEMBL5196062 0.83 NPC1 (0.60) FLT3PDGFRACCNE1CDK2CTSL

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 FLT3 719/4885TDP1 1310/4885PDGFRA 1525/4885

“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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