SCHEMBL4756927

SCHEMBL4756927

CCc1c(NC(=O)c2nc(NC(=O)OC(C)(C)C)cn2C)nc(C(=O)O)n1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CNR2 P34972 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
MAPK14 Q16539 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL2390281 0.99 GSK3B (0.33) GSK3BDYRK1ACNR2
SCHEMBL7184525 0.84 KDM4E (0.35) GSK3BDYRK1ACNR2ACSS2MAPK14
SCHEMBL2389887 0.83 GSK3B (0.40) GSK3BDYRK1ACNR2P2RX7
SCHEMBL2390936 0.83 GSK3B (0.40) GSK3BDYRK1ACNR2P2RX7
SCHEMBL1986577 0.81 GSK3B (0.43) GSK3BDYRK1ACNR2ACSS2MAPK14
SCHEMBL2390274 0.76 RPS6KA3 (0.45) GSK3BDYRK1A
SCHEMBL2389890 0.76 RPS6KA3 (0.45) GSK3BDYRK1A
SCHEMBL6428501 0.76 GSK3B (0.41) GSK3BDYRK1AMAPK14
SCHEMBL21316476 0.76 NAMPT (0.46) GSK3BDYRK1ACNR2ACSS2
SCHEMBL3415059 0.76 GSK3B (0.39) GSK3BDYRK1A

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
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
US-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes UNIVERSITY OF WESTERN SYDNEY (AU) 2007-11-15 US disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 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-20070265240-A1 Sequence Selective Pyrrole and Imidazole Polyamide Metallocomplexes POLRMT, MPI, PPIF GSK3B 4825/4885DYRK1A 2686/4885CNR2 4383/4885

“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.