SCHEMBL4898746

SCHEMBL4898746

NC(=O)c1ccc(Nc2nc(N[C@H]3CC[C@H](N)CC3)nc3[nH]cnc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 9/20 0.62
PDGFRA P16234 4/20 0.62
CDK2 P24941 4/20 0.62
KIT P10721 3/20 0.56
SYK P43405 7/20 0.51
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CCNE1 P24864 1/20 0.46
CDK1 P06493 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
SCHEMBL4898733 1.00 FLT3 (0.62) FLT3PDGFRACDK2KITSYK
SCHEMBL7110235 0.94 FLT3 (0.59) FLT3PDGFRACDK2KITSYK
SCHEMBL5891707 0.92 FLT3 (0.53) FLT3PDGFRACDK2KITMAPK8
SCHEMBL5891718 0.92 FLT3 (0.53) FLT3PDGFRACDK2KITMAPK8
SCHEMBL4890517 0.87 PDGFRA (0.49) FLT3PDGFRACDK2KITSYK
SCHEMBL4890532 0.87 PDGFRA (0.49) FLT3PDGFRACDK2KITSYK
SCHEMBL1590688 0.86 FLT3 (0.52) FLT3PDGFRACDK2SYKCCNE1
SCHEMBL4894184 0.85 FLT3 (0.60) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL4894170 0.85 FLT3 (0.60) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL4899218 0.84 FLT3 (0.48) FLT3PDGFRACDK2CCNE1CDK1

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 FLT3 528/4885PDGFRA 2734/4885CDK2 10/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP FLT3 406/4885PDGFRA 2297/4885CDK2 9/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP FLT3 502/4885PDGFRA 2463/4885CDK2 10/4885

“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.