SCHEMBL4897230

SCHEMBL4897230

CN(C)c1ccc(Nc2nc(NC3CCC(N)CC3)nc3[nH]cnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
FLT3 P36888 7/20 0.48
CDK1 P06493 1/20 0.48
SYK P43405 1/20 0.46
PDGFRA P16234 12/20 0.45
CDK2 P24941 11/20 0.45
CCNE1 P24864 9/20 0.45
SRC P12931 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
SCHEMBL4897255 1.00 ADORA3 (0.51) ADORA3ADORA2AADORA1FLT3CDK1
SCHEMBL4894170 0.86 FLT3 (0.60) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL4894184 0.86 FLT3 (0.60) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL4899194 0.83 FLT3 (0.48) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL4899218 0.83 FLT3 (0.48) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL5891718 0.82 FLT3 (0.53) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL5891707 0.82 FLT3 (0.53) FLT3CDK1PDGFRACDK2CCNE1
SCHEMBL4898746 0.82 FLT3 (0.62) FLT3CDK1SYKPDGFRACDK2
SCHEMBL4898733 0.82 FLT3 (0.62) FLT3CDK1SYKPDGFRACDK2
SCHEMBL4900930 0.81 FLT3 (0.48) FLT3CDK1PDGFRACDK2CCNE1

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 7 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
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 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 (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 ADORA3 347/4885ADORA2A 128/4885ADORA1 183/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP ADORA3 335/4885ADORA2A 121/4885ADORA1 249/4885

“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.