SCHEMBL7051960

SCHEMBL7051960

Cc1c(C(N)=O)sc2c(Cl)ncc(Oc3ccc(Cl)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 14/20 0.58
CDK8 P49336 14/20 0.58
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
ICAM1 P05362 6/20 0.43
SELE P16581 6/20 0.43
VCAM1 P19320 4/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37
IKBKB O14920 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL7857185 0.91 CCNC (0.48) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7060282 0.89 CCNC (0.51) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7854938 0.89 CCNC (0.52) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7800609 0.88 CDK8 (0.46) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7254052 0.87 CCNC (0.50) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7152215 0.86 CCNC (0.48) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7052567 0.80 CDK8 (0.58) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7152220 0.79 CCNC (0.43) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7053680 0.74 CCNC (1.00) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7051473 0.69 CDK8 (0.57) CCNCCDK8CCNT1CDK9ICAM1

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 CCNC 1780/4885CDK8 2986/4885CCNT1 1245/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CCNC 1780/4885CDK8 2986/4885CCNT1 1245/4885

“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.