SCHEMBL4880949

SCHEMBL4880949

CC(=O)Nc1nc2ccc(-c3ncc(-c4ccccc4)o3)cc2s1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.69
KDM4E B2RXH2 1/20 0.66
NPC1 O15118 1/20 0.66
ALDH1A1 P00352 1/20 0.66
GLA P06280 1/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
NFKB1 P19838 1/20 0.66
HTT P42858 1/20 0.66
RAB9A P51151 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PIK3CA P42336 11/20 0.60
CYP3A4 P08684 1/20 0.57
SMO Q99835 1/20 0.55
ABL1 P00519 1/20 0.53

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
SCHEMBL1651874 0.83 PIK3CG (1.00) PIK3CGKDM4ENPC1ALDH1A1GLA
SCHEMBL5319673 0.82 PIK3CG (0.59) PIK3CGKDM4ENPC1ALDH1A1GLA
SCHEMBL4879189 0.75 RAB9A (0.75) KDM4ENPC1ALDH1A1GLAGAA
SCHEMBL1653698 0.75 PIK3CG (1.00) PIK3CGNPC1ALDH1A1MAPTRAB9A
SCHEMBL5318214 0.75 PIK3CG (0.62) PIK3CGKDM4ENPC1ALDH1A1GLA
SCHEMBL1651394 0.75 PIK3CG (0.79) PIK3CGKDM4ENPC1ALDH1A1GAA
SCHEMBL3870265 0.75 PIK3CG (0.79) PIK3CGKDM4ENPC1ALDH1A1GLA
SCHEMBL3716998 0.75 PIK3CG (0.79) PIK3CGKDM4ENPC1ALDH1A1GLA
SCHEMBL4884840 0.74 AURKA (0.55) KDM4ENPC1ALDH1A1GLAGAA
SCHEMBL798579 0.74 PIK3CG (0.77) PIK3CGKDM4ENPC1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 WO claimed
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK PIK3CG 615/4885KDM4E 2869/4885NPC1 2981/4885

“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.