SCHEMBL7053671

SCHEMBL7053671

NC(=O)c1cc2c(Oc3cccc(F)c3)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 1.00
DYRK3 O43781 2/20 1.00
ROCK2 O75116 2/20 1.00
MAP4K4 O95819 2/20 1.00
CDK1 P06493 2/20 1.00
PIM1 P11309 2/20 1.00
PRKACA P17612 2/20 1.00
CDK2 P24941 2/20 1.00
FLT4 P35916 2/20 1.00
CSNK1A1 P48729 2/20 1.00
CSNK1D P48730 2/20 1.00
CLK2 P49760 2/20 1.00
GSK3A P49840 2/20 1.00
GSK3B P49841 2/20 1.00
RPS6KA3 P51812 2/20 1.00
PLK1 P53350 2/20 1.00
CSNK1G2 P78368 2/20 1.00
CDK5 Q00535 2/20 1.00
PRKCD Q05655 2/20 1.00
MAP4K2 Q12851 2/20 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
SCHEMBL7053795 0.87 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL5555083 0.87 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7057343 0.86 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7056305 0.86 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7051772 0.85 CDC7 (0.74) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7051659 0.85 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7643507 0.85 ICAM1 (0.78) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7054673 0.83 ICAM1 (0.80) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7054474 0.82 ICAM1 (1.00) CDC7DYRK3ROCK2MAP4K4CDK1
SCHEMBL7052622 0.81 ICAM1 (0.69) CDC7DYRK3ROCK2MAP4K4CDK1

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 15 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
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 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 CDC7 1665/4885DYRK3 4878/4885ROCK2 773/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CDC7 1665/4885DYRK3 4878/4885ROCK2 773/4885

“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.