SCHEMBL1125582

SCHEMBL1125582

Oc1cccc(-c2ccnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.62
NR1H3 Q13133 8/20 0.62
PIK3CD O00329 1/20 0.57
RXRA P19793 1/20 0.57
PPARG P37231 1/20 0.51
TOP2A P11388 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.44
CDC7 O00311 1/20 0.44
NCF1 P14598 1/20 0.43
AR P10275 1/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SYK P43405 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
PARP1 P09874 1/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL4012984 0.83 NR1H2 (0.62) NR1H2NR1H3PIK3CDRXRAPPARG
SCHEMBL6024715 0.83 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL4263730 0.83 NR1H2 (0.60) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL4011409 0.81 PIK3CD (0.61) NR1H2NR1H3PIK3CDTOP2APTGDR2
SCHEMBL4013369 0.81 PIK3CD (0.65) NR1H2NR1H3PIK3CDTOP2APTGDR2
SCHEMBL4014540 0.81 NR1H2 (0.48) NR1H2NR1H3PIK3CDRXRAPPARG
SCHEMBL4010284 0.81 NR1H2 (0.53) NR1H2NR1H3PIK3CDRXRAPPARG
SCHEMBL4260822 0.80 NR1H2 (0.62) NR1H2NR1H3RXRAPPARGTOP2A
SCHEMBL4009254 0.80 NR1H2 (0.47) NR1H2NR1H3PIK3CDRXRAPPARG
SCHEMBL3278103 0.80 PIK3CD (0.43) NR1H2NR1H3PIK3CDRXRACDC7

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
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
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN 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
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN 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 2/4885PIK3CD 2972/4885

“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.