SCHEMBL4133116

SCHEMBL4133116

COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(CN(C)CCCOCC(=O)O)cc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.66
NUDT1 P36639 2/20 0.66
IL6 P05231 4/20 0.53

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
SCHEMBL4129263 0.93 TLR7 (0.63) TLR7NUDT1IL6
SCHEMBL4129752 0.90 TLR7 (0.59) TLR7NUDT1IL6
SCHEMBL4134428 0.88 TLR7 (0.73) TLR7NUDT1IL6
SCHEMBL1146487 0.88 TLR7 (0.75) TLR7NUDT1IL6
SCHEMBL4133858 0.88 TLR7 (0.58) TLR7NUDT1IL6
SCHEMBL1146403 0.88 TLR7 (0.71) TLR7NUDT1IL6
SCHEMBL1146177 0.86 TLR7 (0.85) TLR7NUDT1IL6
SCHEMBL24247649 0.85 TLR7 (0.66) TLR7NUDT1IL6
SCHEMBL29395647 0.85 TLR7 (0.66) TLR7NUDT1IL6
SCHEMBL1146594 0.85 TLR7 (0.67) TLR7NUDT1IL6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US claimed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP claimed
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 US disclosed
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof AMGEN INC. (US) 2023-02-07 US disclosed
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF AMGEN INC. (US) 2022-11-17 US disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 US disclosed
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
US-20090105212-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2009-04-23 US disclosed
EP-1939201-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP disclosed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 TLR7 1750/4885NUDT1 568/4885IL6 3308/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 TLR7 1750/4885NUDT1 568/4885IL6 3308/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 TLR7 1750/4885NUDT1 568/4885IL6 3308/4885
US-11572374-B2 N-cyano-7-azanorbornane derivatives and uses thereof CYP3A7, CYP51A1, NT5C3B TLR7 828/4885NUDT1 206/4885IL6 1033/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 TLR7 454/4885NUDT1 2677/4885IL6 2447/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 TLR7 3645/4885NUDT1 1492/4885IL6 3293/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 TLR7 1750/4885NUDT1 568/4885IL6 3308/4885
US-20220363694-A1 N-CYANO-7-AZANORBORNANE DERIVATIVES AND USES THEREOF CYP3A7, CYP51A1, NT5C3B TLR7 828/4885NUDT1 206/4885IL6 1033/4885
US-20090105212-A1 NOVEL ADENINE COMPOUND XDH, ADORA1, NUDT1 TLR7 396/4885NUDT1 3/4885IL6 3519/4885

“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.