SCHEMBL5553848

SCHEMBL5553848

O=C(O)Cc1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.69
ICAM1 P05362 13/20 0.63
SELE P16581 13/20 0.63
VCAM1 P19320 8/20 0.63
MAP2K1 Q02750 1/20 0.53
CCNC P24863 7/20 0.52
CDK8 P49336 7/20 0.52
CDC7 O00311 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
FYN P06241 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
CDK2 P24941 1/20 0.48
FLT4 P35916 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48

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
SCHEMBL5553966 0.84 MAP3K8 (0.63) MAP3K8ICAM1SELEVCAM1MAP2K1
SCHEMBL5555033 0.82 MAP3K8 (1.00) MAP3K8ICAM1SELEVCAM1CCNC
SCHEMBL5554006 0.81 MAP3K8 (0.60) MAP3K8ICAM1SELEVCAM1MAP2K1
SCHEMBL5550156 0.80 CDK8 (0.71) MAP3K8ICAM1SELEVCAM1MAP2K1
SCHEMBL5554204 0.79 MAP3K8 (0.71) MAP3K8ICAM1SELEVCAM1MAP2K1
SCHEMBL7051977 0.77 SELE (1.00) MAP3K8ICAM1SELEVCAM1CCNC
SCHEMBL5550322 0.77 MAP3K8 (0.67) MAP3K8ICAM1SELEVCAM1MAP2K1
SCHEMBL7623053 0.77 CDK8 (0.69) MAP3K8ICAM1SELEVCAM1CCNC
SCHEMBL5555148 0.76 SELE (0.76) MAP3K8ICAM1SELEVCAM1CCNC
SCHEMBL7797414 0.75 CDK8 (0.67) ICAM1SELEVCAM1CCNCCDK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
US-20060074102-A1 Kinase inhibitors as therapeutic agents ABBOTT LABORATORIES 2006-04-06 US disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 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 (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-20060074102-A1 Kinase inhibitors as therapeutic agents ABL1, MAP3K19, MAP3K20 MAP3K8 13/4885ICAM1 4375/4885SELE 4256/4885

“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.