SCHEMBL7055461

SCHEMBL7055461

NC(=O)c1cc2c(-c3ccc(Cl)cc3Cl)cncc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 10/20 0.64
SELE P16581 10/20 0.64
VCAM1 P19320 4/20 0.64
PIM1 P11309 9/20 0.62
GSK3A P49840 9/20 0.62
CDK5 Q00535 9/20 0.62
KDR P35968 8/20 0.62
LIMK1 P53667 8/20 0.62
GSK3B P49841 8/20 0.62
CDK2 P24941 8/20 0.62
DYRK1A Q13627 8/20 0.62
CDK1 P06493 7/20 0.62
CHEK2 O96017 7/20 0.62
MAPK9 P45984 7/20 0.62
CSNK1D P48730 7/20 0.62
DAPK3 O43293 6/20 0.62
PRKACA P17612 6/20 0.62
MAPK8 P45983 6/20 0.62
FGFR3 P22607 6/20 0.62
PRKCD Q05655 6/20 0.62

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
SCHEMBL7055360 0.84 PIM1 (0.76) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7056280 0.81 MAP3K8 (0.76) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7053404 0.80 PIM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A
Formamide SCHEMBL7052564 0.80 PIM1 (0.70) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7053722 0.80 PIM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7054697 0.79 ICAM1 (1.00) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7053792 0.77 GSK3A (1.00) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7056743 0.76 GSK3A (1.00) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL5555786 0.75 PIM1 (0.78) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7055380 0.74 PIM1 (1.00) ICAM1SELEVCAM1PIM1GSK3A

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 16/4885VCAM1 2/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885VCAM1 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.