SCHEMBL4094674

SCHEMBL4094674

O=C(NCCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM5B Q9UGL1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM5A P29375 1/20 0.41
KDM5C P41229 1/20 0.41
GRM5 P41594 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
SNCA P37840 1/20 0.40
BCHE P06276 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
FDFT1 P37268 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL4117437 0.95 NPC1 (0.48) WDR5RAB9AMEN1NPC1GAA
SCHEMBL14266530 0.94 RAB9A (0.44) WDR5RAB9AMEN1NPC1GAA
SCHEMBL4107435 0.88 RAB9A (0.51) WDR5RAB9AMEN1NPC1KMT2A
SCHEMBL5118325 0.88 RAB9A (0.51) WDR5RAB9AMEN1NPC1KMT2A
SCHEMBL4099502 0.87 GAA (0.51) RAB9AMEN1GAAKMT2AKDM5B
SCHEMBL5128852 0.86 NPC1 (0.41) RAB9AMEN1NPC1GAAKMT2A
SCHEMBL14266570 0.86 CDK8 (0.49) KDM5BKDM4EKDM5AKDM5C
SCHEMBL4118391 0.86 TRPV1 (0.46) RAB9AKDM5BKDM4EKDM5AKDM5C
SCHEMBL4106626 0.86 KDM5B (0.43) WDR5RAB9ANPC1KDM5BKDM4E
SCHEMBL4100756 0.86 CDK8 (0.51) WDR5SMN1; SMN2KDM4ETRPV1

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
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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 (1 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 WDR5 1400/4885RAB9A 1730/4885MEN1 1953/4885

“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.