SCHEMBL3353271

SCHEMBL3353271

CCOC(=O)c1ccncc1-n1nnnc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ DCTPP1 Q9H773 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ CSNK1D P48730 1/20 0.38

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
SCHEMBL6099859 0.83 TSHR (0.54) RAB9ANPC1MAPK1TSHRLMNA
SCHEMBL3352361 0.82 LMNA (0.43) LMNAALDH1A1
SCHEMBL1486496 0.77 CA12 (0.54) MAPK1TSHRLMNACSNK1D
SCHEMBL3353715 0.74 OPRK1 (0.47) RAB9ANPC1TSHRALDH1A1HPGD
SCHEMBL3515887 0.74 TSHR (0.60) RAB9ANPC1CASP1NUDT1MAPK1
SCHEMBL29837473 0.74 TSHR (0.60) RAB9ANPC1CASP1NUDT1MAPK1
SCHEMBL1486749 0.73 KDM4E (0.40) NPC1MAPK1TSHRLMNAALDH1A1
SCHEMBL277304 0.73 TSHR (0.53) CASP1NUDT1TSHRALDH1A1TP53
SCHEMBL12447815 0.71 TSHR (0.52) RAB9ANPC1CASP1NUDT1MAPK1
SCHEMBL2568123 0.71 CA12 (0.56) CASP1NUDT1TSHRALDH1A1TP53

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 30 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-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 — — US disclosed
US-6638944-B2 Have urea containing substituent at 1-position; induce biosynthesis of cytokines such as interferon and tumor necrosis factor, exhibit antiviral and antitumor properties 3M INNOVATIVE PROPERTIES COMPANY 2003-10-28 — — 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

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 RAB9A 1449/4885NPC1 2909/4885CASP1 1339/4885
US-20030083500-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20030096998-A1 Imidazonaphtyridines IFNG, IRF3, IFNAR1 RAB9A 1150/4885NPC1 3344/4885CASP1 1489/4885
US-20070167481-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20060128674-A1 INTERMEDIATES FOR IMIDAZONAPHTHYRIDINES IFNG, IRF3, MAVS RAB9A 1449/4885NPC1 2909/4885CASP1 1339/4885
US-20020173653-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20020173654-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20050288320-A1 IMIDAZONAPHTHYRIDINES IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20050107421-A1 Imidazonaphthyridines IFNG, IRF3, IFNAR1 RAB9A 1261/4885NPC1 3321/4885CASP1 1511/4885
US-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS RAB9A 1311/4885NPC1 3761/4885CASP1 344/4885

“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.

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