SCHEMBL829931

SCHEMBL829931

O=c1cc(O)c2cccnc2n1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
MAPT P10636 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PTGDR2 Q9Y5Y4 4/20 0.53
SRC P12931 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL5871817 0.85 MAPT (0.61) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL829777 0.84 PTGDR2 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5872072 0.82 KDM4E (0.60) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5871747 0.80 LIPG (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL13923064 0.80 PTGDR2 (0.50) MEN1KMT2AMAPTKDM4EPTGDR2
SCHEMBL5871423 0.80 KDM4E (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10427764 0.79 MAPT (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5872017 0.79 ALDH1A1 (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1523842 0.78 ALDH1A1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3515379 0.77 KDM4E (0.45) MEN1KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
EP-2061466-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS Xtl Biopharmaceuticals Ltd. (US) 2009-05-27 EP disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed
US-7071187-B2 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2006-07-04 US disclosed
US-20040214853-A1 Naphthyridine derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-10-28 US disclosed
EP-1426374-A1 NAPHTHYRIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-06-09 EP disclosed
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP 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 (2 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-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A MEN1 3979/4885KMT2A 1907/4885MAPT 2002/4885
US-20040214853-A1 Naphthyridine derivatives MT-ND1, OPRD1, NR0B1 MEN1 3746/4885KMT2A 4290/4885MAPT 2184/4885

“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.