SCHEMBL7057425

SCHEMBL7057425

Cc1c(C(N)=O)sc2cncc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 8/20 0.48
SELE P16581 8/20 0.48
VCAM1 P19320 3/20 0.48
LIMK1 P53667 4/20 0.39
CDC7 O00311 3/20 0.39
PLK4 O00444 3/20 0.39
DYRK3 O43781 3/20 0.39
ROCK2 O75116 3/20 0.39
PRKD3 O94806 3/20 0.39
MAP4K4 O95819 3/20 0.39
INSR P06213 3/20 0.39
CDK1 P06493 3/20 0.39
PIM1 P11309 3/20 0.39
FGFR1 P11362 3/20 0.39
PRKACA P17612 3/20 0.39
RPS6KB1 P23443 3/20 0.39
CDK2 P24941 3/20 0.39
KDR P35968 3/20 0.39
CSNK1A1 P48729 3/20 0.39
CSNK1D P48730 3/20 0.39

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
SCHEMBL7057179 0.83 ICAM1 (0.49) ICAM1SELEVCAM1LIMK1CDC7
SCHEMBL23111970 0.80 ALDH1A1 (0.49) GAATSHRMAPK1PPARGHTT
SCHEMBL7857515 0.77 ALDH1A1 (0.41) ICAM1SELEVCAM1LIMK1CDC7
SCHEMBL7618059 0.76 ALDH1A1 (0.52) ICAM1SELEVCAM1LIMK1CDC7
SCHEMBL7052567 0.76 CDK8 (0.58) ICAM1SELEVCAM1PIM1MAP4K2
SCHEMBL21500667 0.76 PIM1 (0.53) LIMK1CDC7PLK4ROCK2PRKD3
SCHEMBL7053173 0.74 IKBKB (0.45) ICAM1SELECDK8CDK19GAA
SCHEMBL7250739 0.74 ICAM1 (0.63) ICAM1SELEVCAM1CDC7DYRK3
SCHEMBL5550269 0.74 MAP3K8 (0.42) ICAM1SELEVCAM1LIMK1CDC7
SCHEMBL7053701 0.74 ICAM1 (0.58) ICAM1SELEVCAM1CDC7DYRK3

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.