SCHEMBL7060049

SCHEMBL7060049

NC(=O)c1cc2c(Sc3ccccn3)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 18/20 1.00
SELE P16581 17/20 1.00
VCAM1 P19320 5/20 1.00
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
PLK4 O00444 1/20 0.54
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
CHEK2 O96017 1/20 0.54
CDK1 P06493 1/20 0.54
CSF1R P07333 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
PRKACA P17612 1/20 0.54
FLT1 P17948 1/20 0.54
FGFR3 P22607 1/20 0.54
RPS6KB1 P23443 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 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
SCHEMBL5550624 0.83 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7056390 0.80 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7058275 0.79 ICAM1 (0.86) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL19780458 0.77 PIM1 (0.68) ICAM1SELEVCAM1PLK4CHEK1
SCHEMBL7054708 0.76 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7057661 0.76 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7055361 0.76 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7056150 0.76 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7058261 0.75 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL7057918 0.75 ICAM1 (1.00) ICAM1SELEVCAM1MEN1KMT2A

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.