SCHEMBL7053173

SCHEMBL7053173

Cc1c(C(N)=O)sc2cncc(N3CCOCC3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
KDM4E B2RXH2 5/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIK3CD O00329 7/20 0.38
PIK3CB P42338 7/20 0.38
ALDH1A1 P00352 4/20 0.38
PIK3CA P42336 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIK3CG P48736 2/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 4/20 0.36
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
ICAM1 P05362 2/20 0.35
SELE P16581 2/20 0.35
TSHR P16473 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
SCHEMBL19769168 0.86 IKBKB (0.51) IKBKBKDM4EATMTDP1PIK3CD
SCHEMBL7797418 0.80 SELE (0.55) CDK8ICAM1SELE
SCHEMBL7057425 0.74 ICAM1 (0.48) IKBKBGAAHTTCYP3A4CDK8
SCHEMBL19769153 0.74 CDK8 (0.56) IKBKBKDM4ETDP1ALDH1A1GAA
SCHEMBL19769156 0.74 IKBKB (0.47) IKBKBKDM4EALDH1A1CDK8CDK19
SCHEMBL19769165 0.73 CDK8 (0.58) IKBKBKDM4ETDP1ALDH1A1GAA
SCHEMBL7791212 0.73 SELE (0.65) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL7053106 0.72 ICAM1 (0.55) CDK8ICAM1SELE
SCHEMBL19769189 0.72 CDK8 (0.43) IKBKBALDH1A1CDK8CDK19
SCHEMBL19769121 0.72 CDK8 (0.41) IKBKBKDM4EATMTDP1ALDH1A1

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 8 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 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 IKBKB 451/4885KDM4E 4588/4885ATM 3887/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM IKBKB 451/4885KDM4E 4588/4885ATM 3887/4885

“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.