SCHEMBL7058876

SCHEMBL7058876

FC(F)(F)c1nc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)no1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.58
SELE P16581 4/20 0.58
CDK8 P49336 11/20 0.58
CCNC P24863 10/20 0.58
MAP3K8 P41279 7/20 0.58
MAP2K1 Q02750 4/20 0.55
PIM1 P11309 4/20 0.54
MAP4K2 Q12851 4/20 0.54
DYRK3 O43781 3/20 0.54
MAP4K4 O95819 3/20 0.54
CDK1 P06493 3/20 0.54
CSNK1A1 P48729 3/20 0.54
GSK3A P49840 3/20 0.54
GSK3B P49841 3/20 0.54
PRKX P51817 3/20 0.54
NEK4 P51957 3/20 0.54
CSNK2A1 P68400 3/20 0.54
CSNK1G2 P78368 3/20 0.54
DYRK1A Q13627 3/20 0.54
HIPK4 Q8NE63 3/20 0.54

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
SCHEMBL7055309 0.91 CDK8 (0.59) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7056037 0.84 PIM1 (0.66) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7053286 0.84 CDK8 (0.61) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7056678 0.78 CDK8 (0.63) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7051856 0.76 PIM1 (0.69) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7052212 0.74 SELE (1.00) ICAM1SELECDK8CCNCVCAM1
SCHEMBL7058872 0.72 PIM1 (0.66) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7254159 0.72 PIM1 (0.60) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7056274 0.72 CDK8 (0.64) ICAM1SELECDK8CCNCMAP3K8
SCHEMBL7060318 0.71 MAP3K8 (0.63) ICAM1SELECDK8CCNCMAP3K8

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 ICAM1 1/4885SELE 16/4885CDK8 2986/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885CDK8 2986/4885

“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.