SCHEMBL1125598

SCHEMBL1125598

N#Cc1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(-c2c(C#N)cnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.61
NR1H3 Q13133 9/20 0.61
EGFR P00533 8/20 0.48
ERBB2 P04626 6/20 0.48
GAK O14976 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAP3K8 P41279 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
SCHEMBL35463 0.83 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL4012887 0.82 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL1124929 0.81 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL6025030 0.80 NR1H2 (0.76) NR1H2NR1H3PPARGPPARDPPARA
Methane SCHEMBL4013263 0.78 NR1H2 (0.60) NR1H2NR1H3
SCHEMBL4009748 0.77 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL1125909 0.77 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1126089 0.77 NR1H2 (0.59) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018760 0.76 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL4013226 0.75 NR1H2 (0.73) NR1H2NR1H3

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 11 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 claimed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US claimed
JP-2007516258-A 2007-06-21 JP claimed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP claimed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO claimed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US claimed
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
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 2/4885EGFR 4551/4885

“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.