SCHEMBL829447

SCHEMBL829447

FC(F)(F)c1ccc(Sc2cc(Cl)nc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
TNKS O95271 1/20 0.41
WNT3A P56704 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MAOB P27338 1/20 0.39
APP P05067 2/20 0.39
GRM5 P41594 1/20 0.39
HTR1A P08908 1/20 0.39
HTR3A P46098 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 1/20 0.38
BACE1 P56817 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
SCHEMBL828917 0.86 TP53 (0.49) DHFRTP53MAPTABCG2TNKS
SCHEMBL829774 0.84 MEN1 (0.49) DHFRTP53MAPTMAOBKDM4E
SCHEMBL830251 0.83 TP53 (0.59) DHFRTP53MAPTMAOBKDM4E
SCHEMBL830704 0.81 HTT (0.51) DHFRTP53MAPTTNKSTNKS2
SCHEMBL830551 0.81 MAPT (0.52) DHFRTP53MAPTKDM4EKDM1A
SCHEMBL829690 0.81 KDM1A (0.59) DHFRTP53MAPTSLC6A2KDM4E
SCHEMBL829981 0.77 AURKA (0.48) DHFRTP53MAPTABCG2KDM4E
SCHEMBL10627554 0.77 LTB4R (0.51) ABCG2TNKSWNT3ATNKS2APP
SCHEMBL30449773 0.72 BACE1 (0.64) TP53MAPTMAOBKDM4EBACE1
SCHEMBL895250 0.72 BACE1 (0.64) TP53MAPTMAOBKDM4EBACE1

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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DHFR 203/4885TP53 335/4885MAPT 2002/4885

“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.