SCHEMBL7052468

SCHEMBL7052468

NC(=S)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 13/20 0.78
CCNC P24863 12/20 0.78
ICAM1 P05362 11/20 0.78
SELE P16581 11/20 0.78
VCAM1 P19320 7/20 0.78
CCNT1 O60563 1/20 0.78
CDK9 P50750 1/20 0.78
PIM1 P11309 2/20 0.67
MAP4K2 Q12851 2/20 0.67
MAP2K2 P36507 1/20 0.67
CDC7 O00311 1/20 0.60
DYRK3 O43781 1/20 0.60
ROCK2 O75116 1/20 0.60
MAP4K4 O95819 1/20 0.60
FYN P06241 1/20 0.60
CDK1 P06493 1/20 0.60
PRKACA P17612 1/20 0.60
CDK2 P24941 1/20 0.60
FLT4 P35916 1/20 0.60
MAPK9 P45984 1/20 0.60

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
SCHEMBL7055169 0.88 ICAM1 (1.00) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051906 0.85 CDK8 (0.74) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051901 0.85 CDK8 (0.74) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051842 0.84 CDK8 (1.00) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7856364 0.82 CDK8 (1.00) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7052272 0.82 CDK8 (0.80) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051877 0.82 CDK8 (0.69) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051879 0.82 CDK8 (0.69) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7050900 0.81 CCNC (0.83) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7057140 0.81 CDK8 (1.00) CDK8CCNCICAM1SELEVCAM1

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 13 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
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP 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 CDK8 2986/4885CCNC 1780/4885ICAM1 1/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CDK8 2986/4885CCNC 1780/4885ICAM1 1/4885

“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.