SCHEMBL3595331

SCHEMBL3595331

O=C(NCCc1ccc(Cl)c(Cl)c1)N1CC=C(c2c[nH]c3ncccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.68
MAP4K4 O95819 3/20 0.68
PIM1 P11309 3/20 0.68
PRKACA P17612 3/20 0.68
CLK2 P49760 3/20 0.68
GSK3B P49841 3/20 0.68
CDK5 Q00535 3/20 0.68
PRKAA1 Q13131 3/20 0.68
ROCK1 Q13464 3/20 0.68
DYRK1A Q13627 3/20 0.68
CLK4 Q9HAZ1 3/20 0.68
KDR P35968 2/20 0.68
PRKX P51817 2/20 0.68
DAPK3 O43293 1/20 0.68
MAP2K2 P36507 1/20 0.68
MAPK8 P45983 1/20 0.68
CSNK1A1 P48729 1/20 0.68
CDK8 P49336 1/20 0.68
CDK7 P50613 1/20 0.68
CDK9 P50750 1/20 0.68

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
SCHEMBL1852018 0.92 CHEK1 (0.61) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1852190 0.91 CHEK1 (0.71) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850053 0.90 CHEK1 (0.68) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1847547 0.88 CHEK1 (0.75) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1848026 0.87 CHEK1 (0.71) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1851372 0.87 CDK9 (0.71) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1852127 0.86 CDK9 (0.65) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1851891 0.86 ROCK1 (0.68) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL1850072 0.86 CHEK1 (0.67) CHEK1MAP4K4PIM1PRKACACLK2
SCHEMBL3601418 0.85 CHEK1 (0.68) CHEK1MAP4K4PIM1PRKACACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US claimed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ABBOTT LABORATORIES (US) 2010-02-11 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090042857-A1 Novel Pharmaceutical TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-12 US disclosed
EP-1987827-A1 NOVEL PHARMACEUTICAL Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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 (3 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 CHEK1 2815/4885MAP4K4 2631/4885PIM1 3907/4885
US-20100035919-A1 COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES ROCK1, ROCK2, RHOA CHEK1 434/4885MAP4K4 105/4885PIM1 820/4885
US-20090042857-A1 Novel Pharmaceutical AR, NR5A1, NR5A2 CHEK1 3335/4885MAP4K4 1900/4885PIM1 3838/4885

“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.