SCHEMBL1640787

SCHEMBL1640787

CSc1nccc(-c2scnc2-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.46
MAPT P10636 1/20 0.44
PDE4A P27815 4/20 0.43
PDE4C Q08493 2/20 0.43
PLK1 P53350 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CDK2 P24941 2/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 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
SCHEMBL1641919 0.84 CCNT1 (0.48) PDE4DMAPTPDE4APDE4CPLK1
SCHEMBL13120707 0.84 PLK1 (0.57) PDE4DMAPTPDE4APDE4CPLK1
SCHEMBL1641885 0.84 PDE4D (0.48) PDE4DMAPTPDE4APDE4CPLK1
SCHEMBL1641146 0.83 MYC (0.52) PDE4DMAPTPDE4APDE4CPLK1
SCHEMBL5813444 0.82 KDM4E (0.42) KDM4EMAPK1NPSR1L3MBTL1ALDH1A1
SCHEMBL5818427 0.81 KDM4E (0.42) MAPTKDM4EMAPK1NPSR1L3MBTL1
SCHEMBL5818860 0.81 LMNA (0.44) MAPTPLK1KDM4EMAPK1NPSR1
SCHEMBL1641735 0.81 L3MBTL1 (0.42) PLK1ALOX5KDM4EMAPK1NPSR1
SCHEMBL6260027 0.80 KDM4E (0.52) MAPTKDM4EMAPK1NPSR1L3MBTL1
SCHEMBL1642425 0.79 PDE4D (0.46) PDE4DMAPTPDE4APDE4CPLK1

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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 PDE4D 1196/4885MAPT 1402/4885PDE4A 1035/4885

“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.