SCHEMBL7055263

SCHEMBL7055263

COC(=O)c1cc2c(-c3ccc(C(F)(F)F)cc3)cncc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 10/20 0.65
GSK3B P49841 9/20 0.65
DYRK1A Q13627 9/20 0.65
CSNK1D P48730 8/20 0.65
AURKB Q96GD4 7/20 0.65
RPS6KB1 P23443 3/20 0.65
NTRK2 Q16620 1/20 0.65
PIM1 P11309 9/20 0.58
CDK2 P24941 8/20 0.58
CDK1 P06493 7/20 0.58
CDK5 Q00535 7/20 0.58
MAPKAPK2 P49137 1/20 0.58
CHEK2 O96017 7/20 0.55
MAPK9 P45984 7/20 0.55
CSNK2A1 P68400 7/20 0.55
RPS6KA3 P51812 6/20 0.55
DAPK3 O43293 6/20 0.55
PLK4 O00444 6/20 0.55
AURKA O14965 6/20 0.55
PRKACA P17612 5/20 0.55

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
SCHEMBL7050864 0.86 ICAM1 (0.68) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL7057944 0.84 PIM1 (0.80) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL7060310 0.84 GSK3A (0.78) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL829818 0.83 SLC9A1 (0.52) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL7051662 0.82 ICAM1 (0.78) ICAM1SELECDK8VCAM1CCNC
SCHEMBL660155 0.76 CSNK1D (0.63) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL30744198 0.76 CSNK1D (0.63) GSK3AGSK3BDYRK1ACSNK1DAURKB
SCHEMBL23795896 0.75 MYC (0.45) KDRMAP4K4CYP11B1CYP11B2
SCHEMBL15697487 0.74 PTPN2 (0.47) DYRK1A
SCHEMBL7934399 0.74 GSK3A (0.78) GSK3AGSK3BDYRK1ACSNK1DAURKB

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 GSK3A 3245/4885GSK3B 3044/4885DYRK1A 4879/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM GSK3A 3245/4885GSK3B 3044/4885DYRK1A 4879/4885

“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.