SCHEMBL7050653

SCHEMBL7050653

NC(=O)c1cc2c(-c3ccc(F)cc3)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 1.00
PIM1 P11309 12/20 1.00
GSK3B P49841 12/20 1.00
DYRK1A Q13627 12/20 1.00
CDK2 P24941 11/20 1.00
CSNK1D P48730 11/20 1.00
CDK5 Q00535 10/20 1.00
KDR P35968 10/20 1.00
CDK1 P06493 10/20 1.00
CHEK2 O96017 9/20 1.00
MAPK9 P45984 9/20 1.00
AURKB Q96GD4 9/20 1.00
LIMK1 P53667 8/20 1.00
DAPK3 O43293 8/20 1.00
PRKACA P17612 8/20 1.00
RPS6KA3 P51812 8/20 1.00
PLK4 O00444 8/20 1.00
SGK2 Q9HBY8 8/20 1.00
CSNK2A1 P68400 8/20 1.00
PLK3 Q9H4B4 8/20 1.00

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
SCHEMBL5555786 0.88 PIM1 (0.78) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7934399 0.88 GSK3A (0.78) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7055380 0.86 PIM1 (1.00) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7055360 0.86 PIM1 (0.76) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7056743 0.86 GSK3A (1.00) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7057944 0.86 PIM1 (0.80) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL5550778 0.85 PIM1 (0.78) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL7053792 0.84 GSK3A (1.00) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL19780465 0.83 PIM1 (0.71) GSK3APIM1GSK3BDYRK1ACDK2
SCHEMBL19769135 0.83 PIM1 (0.71) GSK3APIM1GSK3BDYRK1ACDK2

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 3245/4885PIM1 2261/4885GSK3B 3044/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM GSK3A 3245/4885PIM1 2261/4885GSK3B 3044/4885

“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.