SCHEMBL7054697

SCHEMBL7054697

NC(=O)c1cc2c(Cl)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 15/20 1.00
SELE P16581 15/20 1.00
VCAM1 P19320 5/20 1.00
PIM1 P11309 6/20 0.59
GSK3A P49840 6/20 0.59
GSK3B P49841 6/20 0.59
CDK5 Q00535 6/20 0.59
PRKACA P17612 5/20 0.59
RPS6KA3 P51812 4/20 0.59
DAPK3 O43293 4/20 0.59
KDR P35968 4/20 0.59
MAPK8 P45983 4/20 0.59
LIMK1 P53667 4/20 0.59
ROCK1 Q13464 3/20 0.59
CSNK1A1 P48729 3/20 0.59
CLK2 P49760 3/20 0.59
MAP4K2 Q12851 3/20 0.59
CLK4 Q9HAZ1 3/20 0.59
CDK8 P49336 2/20 0.59
CDK9 P50750 2/20 0.59

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
SCHEMBL658705 0.85 ICAM1 (0.73) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL29069393 0.81 ICAM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL15518133 0.80 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL30568694 0.80 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL14023789 0.80 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL742713 0.80 ICAM1 (0.67) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL1594381 0.80 ICAM1 (0.66) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL660279 0.80 ICAM1 (0.66) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL30744193 0.80 ICAM1 (0.66) ICAM1SELEVCAM1PIM1GSK3A
SCHEMBL7053404 0.79 PIM1 (0.69) ICAM1SELEVCAM1PIM1GSK3A

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 16 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-10154992-B2 Compounds and methods for treating HIV infection THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-12-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
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
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 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 (4 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-10154992-B2 Compounds and methods for treating HIV infection CD4, CCR5, MMP8 ICAM1 65/4885SELE 751/4885VCAM1 422/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885VCAM1 2/4885
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 ICAM1 65/4885SELE 751/4885VCAM1 422/4885

“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.