SCHEMBL5762007

SCHEMBL5762007

CC(C)(C)c1nc(-c2ccc(F)cc2)c(-c2cc[nH]c(=O)c2)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.63
MAPK13 O15264 5/20 0.63
MAPK12 P53778 5/20 0.63
MAPK11 Q15759 5/20 0.63
BRAF P15056 2/20 0.61
CYP3A4 P08684 2/20 0.45
CHEK1 O14757 1/20 0.41
IKBKB O14920 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
HCK P08631 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
PRKCA P17252 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL4463764 0.82 MAPK14 (0.91) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4105858 0.81 MAPK13 (0.60) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4096709 0.80 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5759775 0.78 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4101328 0.77 TGFBR1 (0.41) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5762949 0.77 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4091788 0.76 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL4114563 0.76 BRAF (1.00) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4585275 0.76 BRAF (1.00) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL5763554 0.75 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11TEK

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.