SCHEMBL7055574

SCHEMBL7055574

O=C(O)c1cc2ccnc(Oc3ccc(Cl)cc3)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 7/20 0.47
CDK8 P49336 7/20 0.47
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDH1 P12830 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
S1PR3 Q99500 1/20 0.39
PTGER4 P35408 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
FLT1 P17948 1/20 0.38
KDR P35968 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL7797446 0.78 ICAM1 (0.46) CCNCCDK8RAB9ATDP1CCNT1
SCHEMBL7056416 0.77 KDR (0.41) CCNCCDK8TDP1KDM4EALDH1A1
SCHEMBL3642157 0.76 GPR35 (0.43) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7855399 0.76 CDK8 (0.48) CCNCCDK8RAB9ACCNT1CDK9
SCHEMBL7053321 0.74 CDK8 (0.66) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7621184 0.72 HPGD (0.38) RAB9AKDM4EALDH1A1L3MBTL1HTT
SCHEMBL7056641 0.71 CCNC (0.62) CCNCCDK8CCNT1CDK9KDR
SCHEMBL17053160 0.70 KMT2A (0.47) KDM4EALDH1A1KDRL3MBTL1MEN1
SCHEMBL7056612 0.68 CCNC (0.65) CCNCCDK8CCNT1CDK9CDH1
SCHEMBL2779334 0.68 RAB9A (0.76) RAB9ATDP1KDM4EALDH1A1L3MBTL1

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 CCNC 1780/4885CDK8 2986/4885RAB9A 1542/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CCNC 1780/4885CDK8 2986/4885RAB9A 1542/4885

“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.