SCHEMBL5760993

SCHEMBL5760993

CNC(c1ccnc(F)c1)C(O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNA5 P22460 1/20 0.41
CES2 O00748 1/20 0.39
MAPK14 Q16539 2/20 0.38
PDE2A O00408 1/20 0.37
ACP3 P15309 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRB2 P07550 1/20 0.36
AURKA O14965 1/20 0.36
KCNN4 O15554 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL5206641 0.82 PNMT (0.50) PNMTALDH1A1L3MBTL1KCNA5CES2
SCHEMBL5203460 0.82 PNMT (0.40) PNMTALDH1A1L3MBTL1KCNA5CES2
SCHEMBL5201101 0.79 ALDH1A1 (0.39) PNMTALDH1A1L3MBTL1KCNA5CES2
SCHEMBL17465593 0.78 CES2 (0.50) PNMTALDH1A1CES2ACP3SLC6A2
SCHEMBL2538654 0.78 CES2 (0.50) PNMTALDH1A1CES2ACP3SLC6A2
SCHEMBL4524501 0.78 CES2 (0.50) PNMTALDH1A1CES2ACP3SLC6A2
SCHEMBL29600944 0.78 CES2 (0.50) PNMTALDH1A1CES2ACP3SLC6A2
SCHEMBL7502772 0.74 PNMT (0.42) PNMTALDH1A1L3MBTL1KCNA5CES2
SCHEMBL5201104 0.72 EPHX1 (0.40) PNMTALDH1A1L3MBTL1KCNA5CES2
SCHEMBL18925489 0.71 CES2 (0.44) PNMTCES2ACP3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414443-B1 BENZIMIDAZO 4,5-f|ISOQUINOLINONE DERIVATIVES MERCK & CO INC (US) 2006-11-15 EP disclosed
EP-1414443-A4 BENZIMIDAZO 4,5-f]ISOQUINOLINONE DERIVATIVES MERCK & CO INC (US) 2005-05-11 EP disclosed
US-6852727-B2 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK & CO., INC. (US) 2005-02-08 US disclosed
US-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives MERCK SHARP & DOHME LLC 2004-09-09 US disclosed
EP-1414443-A1 BENZIMIDAZO 4,5-f]ISOQUINOLINONE DERIVATIVES Merck & Co., Inc. (US) 2004-05-06 EP disclosed
WO-2003011285-A1 BENZIMIDAZO[4,5-f]ISOQUINOLINONE DERIVATIVES MERCK & CO., INC. (US) 2003-02-13 WO disclosed
US-6291457-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS MERCK & CO., INC. 2001-09-18 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-20040176601-A1 Benzimisazo[4,5-f]isoquinolinone derivatives JAK1, JAK3, JAK2 PNMT 2772/4885ALDH1A1 2321/4885L3MBTL1 2112/4885

“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.