SCHEMBL4733865

SCHEMBL4733865

CCN(C(C)=O)c1cccc(-c2ccnc(Nc3ccc(OC)cc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CDK5 Q00535 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CDK5R1 Q15078 1/20 0.60
PIK3CG P48736 6/20 0.53
PIK3CA P42336 5/20 0.53
PIK3CB P42338 5/20 0.53
PLK1 P53350 3/20 0.51
IKBKB O14920 2/20 0.49
JAK2 O60674 2/20 0.47
FLT3 P36888 1/20 0.47
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL4739226 0.89 PLK1 (0.64) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL5401239 0.85 PLK1 (0.65) MEN1KMT2ACDK5RAB9APIK3CG
SCHEMBL4737541 0.79 PLK1 (0.61) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4736249 0.77 MEN1 (0.70) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4735260 0.76 PLK1 (0.68) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL7466239 0.74 ACVR1 (0.72) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL4385401 0.74 JAK2 (0.76) MEN1KMT2APIK3CGPIK3CAPIK3CB
SCHEMBL4735284 0.74 PLK1 (0.70) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL1667472 0.73 MEN1 (0.75) MEN1KMT2ACDK5NPC1RAB9A
SCHEMBL27116705 0.72 PIK3CG (0.73) MEN1KMT2ACDK5NPC1RAB9A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US claimed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO claimed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US claimed
JP-2007500179-A 2007-01-11 JP claimed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP claimed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO claimed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
US-20080153822-A1 Methods of treating pain INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-26 US disclosed
WO-2008065155-A1 CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS GMBH (DE) 2008-06-05 WO disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
US-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1648875-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS Cyclacel Limited (GB) 2006-04-26 EP disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 WO disclosed
WO-2005012262-A1 2-AMINOPHENYL-4-PHENYLPYRIMIDINES AS KINASE INHIBITORS CYCLACEL LIMITED (GB) 2005-02-10 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-20070021419-A1 2-Aminophenyl-4-phenylpyrimidines as kinase inhibitors GRK3, NCOR1, GRM3 MEN1 3759/4885KMT2A 1131/4885CDK5 737/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 MEN1 3807/4885KMT2A 2447/4885CDK5 2587/4885

“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.