SCHEMBL1457529

SCHEMBL1457529

Nc1nc2c(c3[nH]cnc13)NCCC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.33
GDA Q9Y2T3 1/20 0.33
PI4KA P42356 2/20 0.31
PI4K2B Q8TCG2 2/20 0.31
PI4K2A Q9BTU6 2/20 0.31
PI4KB Q9UBF8 2/20 0.31
LMNA P02545 1/20 0.31
DRD3 P35462 1/20 0.31
XDH P47989 1/20 0.31
LRRK2 Q5S007 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 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
SCHEMBL6930107 0.76 ACHE (0.40) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1140881 0.76 ACHE (0.41) PDPK1GDALMNAKDM4EMEN1
SCHEMBL3350655 0.76 UHRF1 (0.41) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6244651 0.75 ACHE (0.40) PDPK1GDAKDM4EMEN1ALDH1A1
SCHEMBL13588389 0.73 ADORA3 (0.35)
SCHEMBL4386944 0.73
SCHEMBL1747900 0.70
SCHEMBL3350667 0.70 PDPK1 (0.33) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL4784920 0.67 PDPK1 (0.33) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL22411485 0.66 KDM4E (0.38) KDM4EALDH1A1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-7968563-B2 Oxime and hydroxylamine substituted imidazo[4,5-c] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-06-28 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-03-18 US disclosed
US-7678918-B2 Intermediates for imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 US disclosed
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-05 US disclosed
US-20080091010-A1 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-04-17 US disclosed
US-7335773-B2 Intermediates for imidazonaphthyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2008-02-26 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
US-20040006098-A1 INDUCE CYTOKINE BIOSYNTHESIS IN ANIMALS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-08 US disclosed
US-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
US-6624172-B2 Imidazonaphthyridine and tetrahydroimidazonaphthyridine compounds induce the biosynthesis of cytokines such as interferon and tumor necrosis factor, and useful as viricides and antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-09-23 US disclosed
US-20030096998-A1 Imidazonaphtyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20030083500-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-01 US disclosed
US-6518280-B2 Antiviral and antitumor properties; immunomodulators and for inducing cytokine biosynthesis in animals 3M INNOVATIVE PROPERTIES COMPANY 2003-02-11 US disclosed
US-6514985-B1 Induce the biosynthesis of cytokines such as interferon and tumor necrosis factor; exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-02-04 US disclosed
US-20020173654-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-20020173653-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-6194425-B1 VIRICIDES, ANTITUMOR AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2001-02-27 US 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 (10 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-20080091010-A1 Intermediates for imidazonaphthyridines IFNG, IRF3, MAVS PDPK1 1580/4885GDA 196/4885PI4KA 444/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 PDPK1 1970/4885GDA 191/4885PI4KA 537/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 PDPK1 1950/4885GDA 205/4885PI4KA 512/4885
US-20040006098-A1 INDUCE CYTOKINE BIOSYNTHESIS IN ANIMALS IFNG, IFNAR1, EIF2AK2 PDPK1 1841/4885GDA 195/4885PI4KA 1154/4885
US-20100069427-A9 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 PDPK1 3368/4885GDA 864/4885PI4KA 1684/4885
US-20090062328-A1 Oxime and Hydroxylamine Substituted Imidazo[4,5-c] Ring Compounds and Methods IFNG, IL4, IRF3 PDPK1 3368/4885GDA 864/4885PI4KA 1684/4885
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 PDPK1 694/4885GDA 787/4885PI4KA 446/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 PDPK1 1970/4885GDA 191/4885PI4KA 537/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 PDPK1 1970/4885GDA 191/4885PI4KA 537/4885
US-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS PDPK1 3431/4885GDA 87/4885PI4KA 494/4885

“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.