SCHEMBL5759875

SCHEMBL5759875

O=c1[nH]ccc2c3[nH]c(C4CCCC4)nc3c3ccc(F)cc3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.56
CHEK1 O14757 4/20 0.56
JAK3 P52333 3/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
IKBKB O14920 1/20 0.56
MAPK13 O15264 1/20 0.56
DAPK3 O43293 1/20 0.56
PRKD3 O94806 1/20 0.56
FYN P06241 1/20 0.56
RET P07949 1/20 0.56
HCK P08631 1/20 0.56
PDGFRB P09619 1/20 0.56
PIM1 P11309 1/20 0.56
FGFR1 P11362 1/20 0.56
PDGFRA P16234 1/20 0.56
PRKCA P17252 1/20 0.56
PRKACA P17612 1/20 0.56
FLT1 P17948 1/20 0.56
FGFR2 P21802 1/20 0.56

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
SCHEMBL5762175 0.99 JAK2 (0.55) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3620725 0.87 PIM1 (0.43) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL13558239 0.87 CHEK1 (0.41) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3614243 0.83 CHEK1 (0.43) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3616391 0.83 CHEK1 (0.40) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL2305017 0.81 JAK2 (0.55) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3621441 0.81 ROCK2 (0.53) JAK2CHEK1ROCK1
SCHEMBL3621700 0.80 CHEK1 (0.39) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3617200 0.80 CHEK1 (0.39) JAK2CHEK1JAK3JAK1TYK2
SCHEMBL3610806 0.80 CHEK1 (0.39) JAK2CHEK1JAK3JAK1TYK2

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 3 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
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

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 JAK2 3/4885CHEK1 1006/4885JAK3 2/4885

“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.