SCHEMBL5550652

SCHEMBL5550652

COC(=O)c1cc2c(Br)cncc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 9/20 0.56
SELE P16581 9/20 0.56
VCAM1 P19320 7/20 0.56
CDK8 P49336 4/20 0.56
CCNC P24863 3/20 0.56
GSK3A P49840 5/20 0.55
GSK3B P49841 5/20 0.55
CSNK1D P48730 4/20 0.55
DYRK1A Q13627 4/20 0.55
AURKB Q96GD4 3/20 0.55
RPS6KB1 P23443 2/20 0.55
NTRK2 Q16620 1/20 0.55
KDR P35968 3/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PIM1 P11309 4/20 0.43
PRKACA P17612 4/20 0.43
RPS6KA3 P51812 4/20 0.43
CDK1 P06493 3/20 0.43

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
SCHEMBL29831616 1.00 ICAM1 (0.56) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL17080828 0.84 ICAM1 (0.51) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL30430905 0.84 ICAM1 (0.51) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL15910879 0.84 PIM1 (0.59) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL660155 0.83 CSNK1D (0.63) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL30744198 0.83 CSNK1D (0.63) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL7060300 0.83 ICAM1 (0.57) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL18105584 0.83 ICAM1 (0.53) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL660279 0.82 ICAM1 (0.66) ICAM1SELEVCAM1CDK8CCNC
SCHEMBL20319560 0.82 ICAM1 (0.41) ICAM1SELEVCAM1CDK8CCNC

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 77 patents — showing the first 20. 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-12612414-B2 Nitrile SUMO inhibitors and uses thereof CIT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
US-20250049035-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-02-13 US disclosed
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF CIT THERAPEUTICS LLC 2024-10-31 US disclosed
EP-4448534-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES Syngenta Crop Protection AG (CH) 2024-10-23 EP disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
CN-118546154-A CDK inhibitors 上海齐鲁制药研究中心有限公司 2024-08-27 CN 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 (6 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-20250049035-A1 MICROBIOCIDAL BICYCLE HETEROCYCLIC DERIVATIVES NOX1, CASP1, CYP1A1 ICAM1 899/4885SELE 2427/4885VCAM1 2026/4885
US-20240360148-A1 NITRILE SUMO INHIBITORS AND USES THEREOF SUMO1, SUMO3, SUMO2 ICAM1 1326/4885SELE 2792/4885VCAM1 2451/4885
US-12612414-B2 Nitrile SUMO inhibitors and uses thereof SUMO1, SUMO3, PSMB6 ICAM1 2789/4885SELE 4424/4885VCAM1 2470/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885VCAM1 2/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 ICAM1 2838/4885SELE 4772/4885VCAM1 2140/4885

“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.