SCHEMBL7056037

SCHEMBL7056037

Nc1nc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)no1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.66
MAP4K2 Q12851 3/20 0.66
DYRK3 O43781 2/20 0.66
MAP4K4 O95819 2/20 0.66
CDK1 P06493 2/20 0.66
CSNK1A1 P48729 2/20 0.66
CLK2 P49760 2/20 0.66
GSK3A P49840 2/20 0.66
GSK3B P49841 2/20 0.66
PRKX P51817 2/20 0.66
NEK4 P51957 2/20 0.66
CSNK2A1 P68400 2/20 0.66
CSNK1G2 P78368 2/20 0.66
DYRK1A Q13627 2/20 0.66
HIPK4 Q8NE63 2/20 0.66
SLK Q9H2G2 2/20 0.66
HIPK2 Q9H2X6 2/20 0.66
CLK4 Q9HAZ1 2/20 0.66
SGK2 Q9HBY8 2/20 0.66
CSNK1G1 Q9HCP0 2/20 0.66

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
SCHEMBL7053286 0.87 CDK8 (0.61) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7055309 0.85 CDK8 (0.59) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7058876 0.84 ICAM1 (0.58) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7051856 0.83 PIM1 (0.69) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7056678 0.80 CDK8 (0.63) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7053779 0.79 PIM1 (1.00) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7053764 0.78 CDK8 (0.69) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7055183 0.78 CDK8 (0.65) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7051781 0.77 CDK8 (0.67) PIM1MAP4K2DYRK3MAP4K4CDK1
SCHEMBL7055731 0.77 CDK8 (1.00) PIM1MAP4K2DYRK3MAP4K4CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US claimed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP claimed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US claimed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO claimed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO claimed
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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 (2 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM PIM1 2261/4885MAP4K2 2312/4885DYRK3 4878/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM PIM1 2261/4885MAP4K2 2312/4885DYRK3 4878/4885

“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.