SCHEMBL5760979

SCHEMBL5760979

Cn1c(C2CCN(C(=O)OCc3ccccc3)CC2)nc(-c2cccc(C(F)(F)F)c2)c1-c1cc[nH]c(=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
MAPK9 P45984 3/20 0.46
RAF1 P04049 1/20 0.46
TRPC3 Q13507 3/20 0.43
TRPC7 Q9HCX4 3/20 0.43
TRPV4 Q9HBA0 1/20 0.42
F2R P25116 1/20 0.42
CETP P11597 1/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 2/20 0.40
PTGES O14684 2/20 0.40
GRIN2B Q13224 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6285426 0.88 MAPK13 (0.43) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8011517 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4025102 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5761261 0.84 TRPC3 (0.42) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6172327 0.82 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6285429 0.81 TRPC3 (0.44) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4029889 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4029885 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6172304 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6175245 0.81 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11MAPK9

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.