SCHEMBL3352920

SCHEMBL3352920

CC(C)(C)OC(=O)NCCCCn1cnc2cnc3cccnc3c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 2/20 0.43
PDPK1 O15530 1/20 0.43
CCNB2 O95067 1/20 0.43
PRKCB P05771 1/20 0.43
CDK1 P06493 1/20 0.43
LYN P07948 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
RPS6KA3 P51812 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
DRD2 P14416 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
STING1 Q86WV6 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
Butane SCHEMBL6297560 0.90 KDM4E (0.42) KDM4ETDP1CYP3A4PDPK1CCNB2
SCHEMBL3350344 0.87 DRD2 (0.40) DRD2L3MBTL1BRD4
SCHEMBL5354727 0.86 PDPK1 (0.44) CYP3A4PDPK1CCNB2PRKCBCDK1
SCHEMBL3357579 0.84 STING1 (0.43) KDM4ETDP1CYP3A4PDPK1CCNB2
SCHEMBL5350633 0.83 PDPK1 (0.45) CYP3A4PDPK1CCNB2PRKCBCDK1
SCHEMBL5124567 0.82 STING1 (0.46) KDM4ETDP1CYP3A4DRD2L3MBTL1
SCHEMBL5129239 0.81 STING1 (0.46) KDM4ETDP1CYP3A4DRD2L3MBTL1
SCHEMBL3355952 0.80 TLR7 (0.48) KDM4ETDP1CYP3A4L3MBTL1STING1
SCHEMBL4309229 0.79 STING1 (0.46) KDM4ETDP1CYP3A4PDPK1CCNB2
SCHEMBL1231989 0.79 KDM4E (0.45) KDM4ETDP1CYP3A4PDPK1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678918-B2 Intermediates for imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 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-20070167481-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-06-15 US disclosed
US-7038051-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-05-02 US disclosed
US-20050288320-A1 IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6949646-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES CO. (US) 2005-09-27 US disclosed
US-20050107421-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-05-19 US disclosed
US-6894165-B2 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-17 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
EP-1040112-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-10-04 EP disclosed
WO-1999029693-A1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-17 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 (9 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 KDM4E 4562/4885TDP1 1744/4885CYP3A4 390/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 KDM4E 4492/4885TDP1 2073/4885CYP3A4 271/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES IFNG, IRF3, MAVS KDM4E 4562/4885TDP1 1744/4885CYP3A4 390/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20050288320-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885
US-20050107421-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 KDM4E 4437/4885TDP1 1991/4885CYP3A4 343/4885

“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.