SCHEMBL1642425

SCHEMBL1642425

CSc1nccc(-c2ocnc2-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.46
PDE4A P27815 6/20 0.45
MAPT P10636 4/20 0.44
PDE4C Q08493 3/20 0.43
PLK1 P53350 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALOX5 P09917 1/20 0.42
GRM5 P41594 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.40
PDE4B Q07343 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
BCR P11274 1/20 0.39
SRC P12931 1/20 0.39
PRKCA P17252 1/20 0.39
MAPK1 P28482 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
SCHEMBL13120707 0.84 PLK1 (0.57) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL1642197 0.82 PDE4D (0.45) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL1640787 0.79 PDE4D (0.46) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL1641919 0.78 CCNT1 (0.48) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL1641103 0.77 ABL1 (0.57) MAPTPLK1ABL1EGFRBCR
SCHEMBL1641146 0.77 MYC (0.52) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL3441979 0.74 MEN1 (0.42) PDE4DPDE4AMAPTPDE4CPLK1
SCHEMBL21875504 0.73 EGFR (0.68) EGFR
SCHEMBL6858677 0.73 MAPK14 (0.55) MAPTALDH1A1L3MBTL1
SCHEMBL3442197 0.70 RAB9A (0.48) PDE4DMAPTNPC1RAB9AALDH1A1

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 5 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
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 1196/4885PDE4A 1035/4885MAPT 1402/4885

“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.