SCHEMBL7052261

SCHEMBL7052261

COC(=O)c1cc2c(OCc3ccccc3)cncc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.57
▸ CDK8 P49336 3/20 0.57
▸ ICAM1 P05362 12/20 0.53
▸ SELE P16581 12/20 0.53
▸ VCAM1 P19320 5/20 0.52
▸ MAP3K8 P41279 2/20 0.51
▸ CSNK1D P48730 2/20 0.51
▸ GSK3A P49840 2/20 0.51
▸ GSK3B P49841 2/20 0.51
▸ DYRK1A Q13627 2/20 0.51
▸ AURKB Q96GD4 2/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ NTRK2 Q16620 1/20 0.51
▸ F9 P00740 1/20 0.47
▸ F10 P00742 1/20 0.47
▸ PLK4 O00444 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ CDK1 P06493 1/20 0.46

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
SCHEMBL7058180 0.86 ICAM1 (0.68) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL27252557 0.84 F9 (0.66) F9F10
SCHEMBL7054454 0.79 CCNC (0.63) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL28583317 0.78 EDNRA (0.47) CCNCCDK8F9F10CSNK2A1
SCHEMBL30169328 0.78 EDNRA (0.47) CCNCCDK8F9F10CSNK2A1
SCHEMBL5550139 0.77 CCNC (0.61) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7056414 0.77 CCNC (0.64) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7060310 0.77 GSK3A (0.78) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7058294 0.76 ICAM1 (0.78) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL30169386 0.76 EDNRA (0.49) CCNCCDK8F9F10

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 CCNC 1780/4885CDK8 2986/4885ICAM1 1/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CCNC 1780/4885CDK8 2986/4885ICAM1 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.

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