SCHEMBL4900930

SCHEMBL4900930

NC1CCC(Nc2nc(Nc3ccc(Cl)c(Cl)c3)c3nc[nH]c3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.48
PDGFRA P16234 9/20 0.47
CCNE1 P24864 9/20 0.47
CDK2 P24941 9/20 0.47
CDK1 P06493 5/20 0.47
PRKCA P17252 1/20 0.47
PAK4 O96013 1/20 0.46
BRAF P15056 1/20 0.43

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
SCHEMBL4900939 1.00 FLT3 (0.48) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4894170 0.88 FLT3 (0.60) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4894184 0.88 FLT3 (0.60) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL5840595 0.82 CDK1 (0.62) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL5840603 0.82 CDK1 (0.62) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4897255 0.81 ADORA3 (0.51) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4899194 0.81 FLT3 (0.48) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4899218 0.81 FLT3 (0.48) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL4897230 0.81 ADORA3 (0.51) FLT3PDGFRACCNE1CDK2CDK1
SCHEMBL5891718 0.80 FLT3 (0.53) FLT3PDGFRACCNE1CDK2CDK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US claimed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 US claimed
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 US disclosed
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 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 (2 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-20040063732-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP FLT3 528/4885PDGFRA 2734/4885CCNE1 108/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP FLT3 406/4885PDGFRA 2297/4885CCNE1 86/4885

“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.