SCHEMBL5759775

SCHEMBL5759775

O=c1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
MAPK13 O15264 9/20 0.61
MAPK12 P53778 9/20 0.61
MAPK11 Q15759 9/20 0.61
GCGR P47871 5/20 0.61
ALOX5 P09917 3/20 0.61
EGFR P00533 2/20 0.56
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
FRK P42685 1/20 0.52
MAPK9 P45984 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CSNK1D P48730 1/20 0.52
GSK3B P49841 1/20 0.52
PTK6 Q13882 1/20 0.52
PRKD2 Q9BZL6 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TGFBR1 P36897 2/20 0.49

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
SCHEMBL5762949 0.89 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5762068 0.86 MAPK13 (0.68) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5763554 0.85 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL16292225 0.82 MAPK13 (0.85) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL1629037 0.82 MAPK13 (0.85) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4091788 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4105858 0.81 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL4463764 0.80 MAPK14 (0.91) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL12561725 0.79 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL13740498 0.78 HPGD (0.64) MAPK14MAPK13MAPK12MAPK11KMT2A

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-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

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 MAPK14 73/4885MAPK13 271/4885MAPK12 288/4885

“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.