SCHEMBL6876786

SCHEMBL6876786

Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 2/20 0.54
MAPK1 P28482 5/20 0.51
CYP3A4 P08684 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6879325 0.90 GAA (0.53) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL6876792 0.90 GAA (0.49) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL6878000 0.84 GAA (0.46) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL15840964 0.79 GAA (0.57) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL10309075 0.79 GAA (0.57) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL25211939 0.79 GAA (0.57) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL6187607 0.79 MAPK1 (0.64) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL8658204 0.78 MAPK1 (0.62) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL9390364 0.77 HPGD (0.51) GAAL3MBTL1ALDH1A1NPSR1TSHR
SCHEMBL15330130 0.77 GAA (0.54) GAAL3MBTL1ALDH1A1NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117126143-A Method for synthesizing (tetrahydrofuran-2-yl) heteroaromatic compound 苏州大学 2023-11-28 CN disclosed
WO-2023019430-A1 COMPOUNDS AS IMMUNOMODULATORS OF PD-L1 INTERACTIONS ASCLETIS BIOSCIENCE CO., LTD. (CN) 2023-02-23 WO disclosed
US-9918987-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2018-03-20 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
US-9688701-B2 Production and use of zinc amides LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2017-06-27 US disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
US-20160215000-A1 Production And Use Of Zinc Amides UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2016-07-28 US disclosed
US-20110053961-A1 SUBSTITUTED XANTHINE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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 (4 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-20110053961-A1 SUBSTITUTED XANTHINE DERIVATIVES XDH, HPRT1, CXCR3 GAA 1144/4885L3MBTL1 2800/4885ALDH1A1 699/4885
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 GAA 3389/4885L3MBTL1 1819/4885ALDH1A1 1186/4885
US-20160215000-A1 Production And Use Of Zinc Amides SCLY, CBR3, SCO2 GAA 4798/4885L3MBTL1 1251/4885ALDH1A1 2994/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 GAA 3065/4885L3MBTL1 1022/4885ALDH1A1 686/4885

“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.