SCHEMBL3355952

SCHEMBL3355952

CCCCc1nc2cnc3cccnc3c2n1CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.48
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
STING1 Q86WV6 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ENPP2 Q13822 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 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
SCHEMBL3353897 0.96 TLR7 (0.47) TLR7TP53LMNASTING1CYP3A4
SCHEMBL4309229 0.90 STING1 (0.46) TP53STING1CYP3A4CYP2D6CYP2C9
SCHEMBL12888449 0.90 KDM4E (0.44) TLR7TP53STING1CYP3A4CYP2D6
SCHEMBL5124567 0.90 STING1 (0.46) TLR7STING1CYP3A4CYP2D6CYP2C9
SCHEMBL5129239 0.89 STING1 (0.46) TLR7STING1CYP3A4CYP2D6CYP2C9
SCHEMBL3352560 0.88 MAPT (0.51) TP53LMNAGAAHTTL3MBTL1
SCHEMBL1231989 0.87 KDM4E (0.45) TLR7STING1CYP3A4CYP2D6CYP2C9
SCHEMBL6283963 0.87 TP53 (0.48) TLR7TP53LMNAGAAHTT
SCHEMBL3352700 0.86 TLR7 (0.59) TLR7
SCHEMBL5126615 0.86 CYP3A4 (0.42) STING1CYP3A4CYP2D6CYP2C9CYP2C19

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-20020173653-A1 Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2002-11-21 US disclosed
US-20020173654-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 TLR7 135/4885TP53 26/4885LMNA 2779/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 TLR7 96/4885TP53 72/4885LMNA 3119/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES IFNG, IRF3, MAVS TLR7 135/4885TP53 26/4885LMNA 2779/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885
US-20050288320-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885
US-20050107421-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 TLR7 109/4885TP53 68/4885LMNA 3209/4885

“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.