SCHEMBL4733507

SCHEMBL4733507

O=[N+]([O-])c1cc(Nc2nccc(-c3cccc(CO)c3)n2)cc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.62
ABL1 P00519 4/20 0.60
BCR P11274 3/20 0.60
PRKCA P17252 3/20 0.60
EGFR P00533 1/20 0.60
SRC P12931 1/20 0.60
PIK3CA P42336 4/20 0.52
PIK3CB P42338 4/20 0.52
PIK3CG P48736 4/20 0.52
CLK1 P49759 1/20 0.49
CDK2 P24941 7/20 0.49
CDK4 P11802 7/20 0.49
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GSK3B P49841 3/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
CCNA2 P20248 2/20 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
SCHEMBL4734812 0.93 ABL1 (0.71) PLK1ABL1BCRPRKCAEGFR
SCHEMBL824007 0.80 ABL1 (0.84) PLK1ABL1BCRPRKCAEGFR
SCHEMBL8293680 0.80 ABL1 (0.69) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4736490 0.79 ABL1 (0.67) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4735051 0.79 ABL1 (0.67) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4786174 0.78 PLK1 (0.57) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4739200 0.78 ABL1 (0.76) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4733400 0.78 ABL1 (0.65) PLK1ABL1BCRPRKCAEGFR
SCHEMBL12948401 0.77 SYK (0.58) PLK1ABL1BCRPRKCAEGFR
SCHEMBL4732943 0.77 CDC7 (0.53) PLK1ABL1BCRPRKCAEGFR

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 11 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
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 PLK1 1603/4885ABL1 684/4885BCR 1561/4885
US-20080153822-A1 Methods of treating pain OPRL1, ACHE, OPRK1 PLK1 3544/4885ABL1 1154/4885BCR 4679/4885

“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.