SCHEMBL4493932

SCHEMBL4493932

Nc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cn1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 14/20 0.64
ALOX5AP P20292 12/20 0.64
PIK3CD O00329 1/20 0.54
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
NPBWR1 P48145 2/20 0.51
MAP4K4 O95819 1/20 0.43

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
SCHEMBL4493866 0.81 FEN1 (0.53) FEN1ALOX5APPIK3CDNPBWR1
SCHEMBL21693446 0.80 FEN1 (0.52) FEN1ALOX5APMAP4K4
SCHEMBL2814348 0.80 NPBWR1 (0.53) FEN1ALOX5APPIK3CDNPBWR1MAP4K4
SCHEMBL3058654 0.79 FEN1 (0.58) FEN1ALOX5APPIK3CDPDE3BPDE3A
SCHEMBL15916316 0.78 FEN1 (1.00) FEN1ALOX5AP
SCHEMBL312533 0.78 NPBWR1 (0.60) FEN1ALOX5APPIK3CDNPBWR1MAP4K4
SCHEMBL30600399 0.75 TSHR (0.52) FEN1ALOX5AP
SCHEMBL1702019 0.75 PIK3CD (0.50) FEN1ALOX5APPIK3CDPDE3BPDE3A
SCHEMBL30704262 0.74 MAP4K4 (0.62) PIK3CDNPBWR1MAP4K4
SCHEMBL28051302 0.74 MAP4K4 (0.62) PIK3CDNPBWR1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961260-B2 Nitrogenous compound and color conversion film comprising same LG CHEM, LTD. (KR) 2021-03-30 US disclosed
US-10858375-B2 Nitrogenous cyclic compound and color changing film comprising same LG CHEM, LTD. (KR) 2020-12-08 US disclosed
US-20200331932-A1 NITROGENOUS COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2020-10-22 US disclosed
US-10711015-B2 Nitrogen-containing compound and color conversion film comprising same LG CHEM, LTD. (KR) 2020-07-14 US disclosed
US-20200032138-A1 NITROGEN-CONTAINING COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2020-01-30 US disclosed
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 US disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 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 (7 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-20200032138-A1 NITROGEN-CONTAINING COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME MYB, NUDC, BLVRB FEN1 2230/4885ALOX5AP 2347/4885PIK3CD 3498/4885
US-20200331932-A1 NITROGENOUS COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME NUDC, MYB, NOTCH4 FEN1 1846/4885ALOX5AP 2283/4885PIK3CD 3293/4885
US-10711015-B2 Nitrogen-containing compound and color conversion film comprising same MYB, NUDC, BLVRB FEN1 2230/4885ALOX5AP 2347/4885PIK3CD 3498/4885
US-10961260-B2 Nitrogenous compound and color conversion film comprising same NUDC, MYB, NOTCH4 FEN1 1846/4885ALOX5AP 2283/4885PIK3CD 3293/4885
US-10858375-B2 Nitrogenous cyclic compound and color changing film comprising same CRY1, MYB, NUDC FEN1 1637/4885ALOX5AP 2157/4885PIK3CD 2422/4885
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 FEN1 3489/4885ALOX5AP 1045/4885PIK3CD 460/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 FEN1 3489/4885ALOX5AP 1045/4885PIK3CD 460/4885

“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.