SCHEMBL7111799

SCHEMBL7111799

O=C(O)c1cc2c(-c3cccc(Cl)c3Cl)cncc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 9/20 0.64
GSK3B P49841 9/20 0.64
CSNK1D P48730 8/20 0.64
DYRK1A Q13627 8/20 0.64
AURKB Q96GD4 8/20 0.64
DAPK3 O43293 8/20 0.64
PIM1 P11309 8/20 0.64
PLK4 O00444 7/20 0.64
CHEK2 O96017 7/20 0.64
CDK1 P06493 7/20 0.64
CDK2 P24941 7/20 0.64
MAPK9 P45984 7/20 0.64
PLK3 Q9H4B4 7/20 0.64
PRKACA P17612 7/20 0.64
AURKA O14965 6/20 0.64
SGK2 Q9HBY8 6/20 0.64
RPS6KA3 P51812 6/20 0.64
CSNK2A1 P68400 5/20 0.64
PIM2 Q9P1W9 5/20 0.64
MAP3K8 P41279 5/20 0.62

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
SCHEMBL7619323 0.78 GSK3A (1.00) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL7929872 0.78 GSK3A (0.69) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL7797363 0.77 GSK3A (0.77) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL658705 0.77 ICAM1 (0.73) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL5555935 0.76 MAP3K8 (1.00) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL7250463 0.74 MAP3K8 (0.77) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL829546 0.73 HDAC3 (0.51) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL699799 0.73 HDAC3 (0.71) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL29485573 0.73 HDAC3 (0.71) GSK3AGSK3BCSNK1DDYRK1AAURKB
SCHEMBL7934399 0.72 GSK3A (0.78) GSK3AGSK3BCSNK1DDYRK1AAURKB

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM GSK3A 3245/4885GSK3B 3044/4885CSNK1D 3707/4885

“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.