SCHEMBL5196938

SCHEMBL5196938

O=[N+]([O-])c1ccc(Nc2nc(Cl)nc3c2ncn3C2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.52
▸ PDGFRA P16234 5/20 0.52
▸ CDK2 P24941 4/20 0.52
▸ CCNE1 P24864 2/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ SRC P12931 2/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL6396640 0.84 FLT3 (0.65) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5194070 0.83 FLT3 (0.64) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5197599 0.83 FLT3 (0.55) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5192781 0.82 NPC1 (0.62) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5195445 0.82 SCTR (0.63) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5195304 0.81 FLT3 (0.69) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5193681 0.81 FLT3 (0.75) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL5193671 0.81 FLT3 (0.75) FLT3PDGFRACDK2CCNE1SRC
SCHEMBL5196062 0.81 NPC1 (0.60) FLT3PDGFRACDK2CCNE1NPC1
SCHEMBL5195256 0.81 FLT3 (0.60) FLT3PDGFRACDK2CCNE1NPC1

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 4 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

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 719/4885PDGFRA 1525/4885CDK2 3/4885

“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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