SCHEMBL829772

SCHEMBL829772

O=c1cc(Cl)c2cccnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
PARP1 P09874 1/20 0.51
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
FEN1 P39748 1/20 0.46
AURKB Q96GD4 1/20 0.45
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15B O15296 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL2294638 0.79 ALDH1A1 (0.53) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL11163123 0.79 AURKA (0.51) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL30575356 0.79 ALDH1A1 (0.53) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL29756959 0.79 AXL (0.53) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL1577490 0.79 TNKS2 (0.55) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL21591632 0.79 AXL (0.53) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL23300985 0.78 AURKA (0.47) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL8692621 0.76 ADORA2A (0.60) AURKAPARP1ADORA2AADORA1AURKB
SCHEMBL13923065 0.75 AURKA (0.47) AURKAPARP1ADORA2AADORA1FEN1
SCHEMBL30211865 0.75 KDM4E (0.51) AURKAPARP1ADORA2AADORA1FEN1

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 10 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
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
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 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 (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-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 AURKA 3804/4885PARP1 4591/4885ADORA2A 3895/4885
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A AURKA 1416/4885PARP1 1421/4885ADORA2A 2454/4885

“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.