SCHEMBL4898667

SCHEMBL4898667

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
PDGFRA P16234 13/20 0.49
CDK2 P24941 13/20 0.49
CCNE1 P24864 10/20 0.49
FLT3 P36888 5/20 0.46
MAPKAPK2 P49137 1/20 0.44
CDK1 P06493 1/20 0.44
SYK P43405 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL4898657 1.00 KDM4E (0.51) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4899908 0.90 PDGFRA (0.46) TP53PDGFRACDK2CCNE1FLT3
SCHEMBL4899919 0.90 PDGFRA (0.46) TP53PDGFRACDK2CCNE1FLT3
SCHEMBL4898733 0.83 FLT3 (0.62) PDGFRACDK2CCNE1FLT3CDK1
SCHEMBL4898746 0.83 FLT3 (0.62) PDGFRACDK2CCNE1FLT3CDK1
SCHEMBL5891718 0.83 FLT3 (0.53) PDGFRACDK2CCNE1FLT3CDK1
SCHEMBL5891707 0.83 FLT3 (0.53) PDGFRACDK2CCNE1FLT3CDK1
SCHEMBL4891943 0.83 RAB9A (0.49) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL4889912 0.82 MAPKAPK2 (0.55) KDM4ENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4889926 0.82 MAPKAPK2 (0.55) KDM4ENPC1HPGDRAB9ASMN1; SMN2

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 6 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-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

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 KDM4E 1724/4885NPC1 1938/4885ALDH1A1 2175/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP KDM4E 1381/4885NPC1 2368/4885ALDH1A1 2605/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP KDM4E 1569/4885NPC1 2301/4885ALDH1A1 2370/4885

“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.