SCHEMBL4792559

SCHEMBL4792559

NC(=O)Cc1cnc(N)c2nc[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PARP1 P09874 1/20 0.33
NEK2 P51955 2/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
LMNA P02545 1/20 0.32
DRD3 P35462 1/20 0.32
XDH P47989 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ATR Q13535 1/20 0.32
MGMT P16455 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL18072147 0.80 NOS3 (0.38) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL4214823 0.74 CDK1 (0.35) GDAPDE4APDE4BPDE4CPDE4D
SCHEMBL31315058 0.67 CSNK2A1 (0.41) GDAPARP1PI4KAPI4K2BPI4K2A
SCHEMBL6879377 0.67 NOS3 (0.39) GDAPARP1PI4KAPI4K2BPI4K2A
SCHEMBL17253699 0.67 CSNK2A1 (0.41) GDAPARP1PI4KAPI4K2BPI4K2A
SCHEMBL19227912 0.67 PI4KA (0.35) GDAPARP1PI4KAPI4K2BPI4K2A
SCHEMBL17165348 0.66 GDA (0.53) GDANEK2KDRAURKBPI4KA
SCHEMBL17165345 0.66 HTT (0.41) GDAPARP1NEK2GAACHEK1
SCHEMBL28002533 0.64 LMNA (0.54) LMNA
Adenine SCHEMBL9621204 0.62 GDA (0.46) GDAPARP1PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 GDA 1417/4885PDE4A 2045/4885PDE4B 3229/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP GDA 991/4885PDE4A 3493/4885PDE4B 4334/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 GDA 1417/4885PDE4A 2045/4885PDE4B 3229/4885

“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.