SCHEMBL1125326

SCHEMBL1125326

Clc1cccc2c(Br)c(-c3ccccc3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.47
NR1H3 Q13133 6/20 0.47
HAVCR2 Q8TDQ0 1/20 0.43
CYP2A6 P11509 1/20 0.41
NR4A2 P43354 1/20 0.40
JAK2 O60674 3/20 0.38
AURKA O14965 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
IGF1R P08069 2/20 0.38
FGFR1 P11362 2/20 0.38
FLT1 P17948 2/20 0.38
MAPK8 P45983 2/20 0.38
CLK2 P49760 2/20 0.38
JAK3 P52333 2/20 0.38
CDK5 Q00535 2/20 0.38
MAP4K2 Q12851 2/20 0.38
DYRK1A Q13627 2/20 0.38
NTRK3 Q16288 2/20 0.38
TAOK1 Q7L7X3 2/20 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
SCHEMBL1124908 0.77 NR1H2 (0.51) NR1H2NR1H3PARP1ENPP1
SCHEMBL28021043 0.75 NR4A2 (0.56) NR1H2NR1H3HAVCR2CYP2A6NR4A2
SCHEMBL1125479 0.75 NR4A2 (0.43) NR1H2NR1H3HAVCR2NR4A2JAK2
SCHEMBL1125132 0.74 NR1H2 (0.47) NR1H2NR1H3HAVCR2NR4A2JAK2
SCHEMBL1125016 0.74 NR1H2 (0.58) NR1H2NR1H3HAVCR2NR4A2MAP4K4
SCHEMBL35232 0.74 NR1H2 (0.61) NR1H2NR1H3HAVCR2SYKPPARG
SCHEMBL3279218 0.72 DHODH (0.43) NR1H2NR1H3CYP2A6ATMDHODH
SCHEMBL16810787 0.69 CYP2A6 (0.62) NR1H2NR1H3CYP2A6MAPK14NPC1
SCHEMBL327460 0.69 NR1H2 (0.44) NR1H2NR1H3HAVCR2NR4A2DHODH
SCHEMBL28203658 0.68 CYP2A6 (0.50) HAVCR2CYP2A6NR4A2JAK2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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 (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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 NR1H2 1/4885NR1H3 2/4885HAVCR2 2772/4885

“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.