SCHEMBL1124802

SCHEMBL1124802

Oc1c(Br)cnc2c(C(F)(F)F)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
NR1H2 P55055 13/20 0.45
NR1H3 Q13133 11/20 0.45
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
FLT4 P35916 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
LIMK1 P53667 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CDK5 Q00535 1/20 0.39
STK3 Q13188 1/20 0.39
DYRK1A Q13627 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL440370 0.81 PARP1 (0.45) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL1125190 0.77 NR1H2 (0.57) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL1124193 0.77 NR1H2 (0.54) PARP1NR1H2NR1H3
Hydrochloric Acid SCHEMBL11618873 0.76 NR1H2 (0.56) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL11201153 0.76 NR1H2 (0.53) PARP1NR1H2NR1H3USP2TP53
SCHEMBL11618867 0.76 NR1H2 (0.53) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL35203 0.75 NR1H2 (0.48) PARP1NR1H2NR1H3USP2TP53
SCHEMBL1125252 0.75 NR1H2 (0.46) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL27654069 0.75 NR1H2 (0.41) PARP1NR1H2NR1H3DYRK3PRKD3
SCHEMBL29862680 0.75 NCF1 (0.51) PARP1NR1H2NR1H3DYRK3PRKD3

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 PARP1 1858/4885NR1H2 1/4885NR1H3 2/4885

“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.