SCHEMBL7054718

SCHEMBL7054718

COc1ccccc1-c1cc2c(Oc3ccc(Cl)cc3)cncc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 8/20 0.62
MAP2K1 Q02750 6/20 0.62
CDK8 P49336 13/20 0.58
PIM1 P11309 2/20 0.58
MAP4K2 Q12851 2/20 0.58
MAP2K2 P36507 1/20 0.58
CCNC P24863 12/20 0.57
DYRK3 O43781 1/20 0.56
MAP4K4 O95819 1/20 0.56
CDK1 P06493 1/20 0.56
RET P07949 1/20 0.56
CDK2 P24941 1/20 0.56
FLT4 P35916 1/20 0.56
CSNK1A1 P48729 1/20 0.56
CLK2 P49760 1/20 0.56
GSK3A P49840 1/20 0.56
GSK3B P49841 1/20 0.56
PRKX P51817 1/20 0.56
NEK4 P51957 1/20 0.56
CSNK2A1 P68400 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
SCHEMBL4248304 0.83 APP (0.49) MAP3K8MAP2K1ICAM1SELEVCAM1
SCHEMBL7060318 0.82 MAP3K8 (0.63) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7059696 0.78 PIM1 (0.62) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7254159 0.76 PIM1 (0.60) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7053764 0.75 CDK8 (0.69) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7053179 0.75 MAP3K8 (0.63) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7058586 0.75 CDK8 (0.65) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7051781 0.74 CDK8 (0.67) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7055418 0.74 CDK8 (0.59) MAP3K8MAP2K1CDK8PIM1MAP4K2
SCHEMBL7055731 0.74 CDK8 (1.00) MAP3K8MAP2K1CDK8PIM1MAP4K2

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 MAP3K8 2303/4885MAP2K1 4754/4885CDK8 2986/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM MAP3K8 2303/4885MAP2K1 4754/4885CDK8 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.