SCHEMBL7050864

SCHEMBL7050864

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 11/20 0.68
SELE P16581 11/20 0.68
GSK3A P49840 7/20 0.58
PIM1 P11309 6/20 0.58
GSK3B P49841 6/20 0.58
DYRK1A Q13627 6/20 0.58
CDK1 P06493 5/20 0.58
CDK2 P24941 5/20 0.58
CDK5 Q00535 5/20 0.58
MAPKAPK2 P49137 1/20 0.58
VCAM1 P19320 5/20 0.58
RPS6KA3 P51812 5/20 0.54
CSNK1D P48730 5/20 0.54
AURKB Q96GD4 5/20 0.54
DAPK3 O43293 4/20 0.54
PRKACA P17612 4/20 0.54
CHEK2 O96017 4/20 0.54
MAPK9 P45984 4/20 0.54
CSNK2A1 P68400 4/20 0.54
KDR P35968 4/20 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
SCHEMBL7055263 0.86 GSK3A (0.65) ICAM1SELEGSK3APIM1GSK3B
SCHEMBL7057944 0.84 PIM1 (0.80) ICAM1SELEGSK3APIM1GSK3B
SCHEMBL6442564 0.81 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7052440 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7056577 0.72 GSK3A (0.78) ICAM1SELEGSK3APIM1GSK3B
SCHEMBL7934399 0.71 GSK3A (0.78) ICAM1SELEGSK3APIM1GSK3B
SCHEMBL15698892 0.71 POLB (0.56) ICAM1SELEDYRK1AVCAM1CLK2
SCHEMBL7050653 0.70 GSK3A (1.00) ICAM1SELEGSK3APIM1GSK3B
SCHEMBL7059740 0.70 ICAM1 (0.79) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7058376 0.70 ICAM1 (0.80) ICAM1SELEVCAM1CDK8CCNC

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 16/4885GSK3A 3245/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885GSK3A 3245/4885

“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.