SCHEMBL4890532

SCHEMBL4890532

N[C@H]1CC[C@H](Nc2nc(Nc3ccc(C(=O)Nc4ccccc4)cc3)c3nc[nH]c3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 8/20 0.49
CDK2 P24941 7/20 0.49
FLT3 P36888 7/20 0.49
SRC P12931 2/20 0.49
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CCNE1 P24864 3/20 0.46
EGFR P00533 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
CTNNB1 P35222 1/20 0.45
TCF7L2 Q9NQB0 1/20 0.45
KIT P10721 2/20 0.45
BTK Q06187 1/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
AURKA O14965 1/20 0.43
SYK P43405 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
SCHEMBL4890517 1.00 PDGFRA (0.49) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL5891718 0.89 FLT3 (0.53) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL5891707 0.89 FLT3 (0.53) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL4898733 0.87 FLT3 (0.62) PDGFRACDK2FLT3MAPK8MAPK9
SCHEMBL4898746 0.87 FLT3 (0.62) PDGFRACDK2FLT3MAPK8MAPK9
SCHEMBL7110933 0.83 CSNK2A1 (0.47) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL7110928 0.83 CSNK2A1 (0.47) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL1590688 0.81 FLT3 (0.52) PDGFRACDK2FLT3SRCCCNE1
SCHEMBL7110235 0.81 FLT3 (0.59) PDGFRACDK2FLT3SRCMAPK8
SCHEMBL4894170 0.80 FLT3 (0.60) PDGFRACDK2FLT3SRCCCNE1

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
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
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP claimed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 WO 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-20060074095-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-04-06 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 (3 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 PDGFRA 2734/4885CDK2 10/4885FLT3 528/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP PDGFRA 2297/4885CDK2 9/4885FLT3 406/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP PDGFRA 2463/4885CDK2 10/4885FLT3 502/4885

“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.