SCHEMBL4884840

SCHEMBL4884840

CC(=O)Nc1cc(-c2ncc(-c3ccccc3)o2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
SMO Q99835 1/20 0.49

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
SCHEMBL4879189 0.79 RAB9A (0.75) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL19706519 0.79 PIK3C3 (0.56) GSK3BPIK3C3
SCHEMBL4880949 0.74 PIK3CG (0.69) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28120422 0.73 ADORA2A (0.58) AURKAGSK3AGSK3BPIK3C3
SCHEMBL1518824 0.73 PIP5K1C (0.68) PIK3C3PIP5K1CPIK3CA
SCHEMBL29505168 0.73 KDM4E (0.50) AURKAGSK3AGSK3BKDM4EPIK3C3
SCHEMBL16896452 0.73 KDM4E (0.50) AURKAGSK3AGSK3BKDM4EPIK3C3
SCHEMBL18280244 0.73 ALOX15 (0.78) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4878788 0.73 ALOX15 (0.62) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL34462722 0.73 ALOX15 (0.62) NPC1RAB9AKDM4EALDH1A1HPGD

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 AURKA 697/4885GSK3A 1425/4885GSK3B 1579/4885

“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.