SCHEMBL5550593

SCHEMBL5550593

COC(=O)c1cc2c(N)cncc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 12/20 0.56
SELE P16581 12/20 0.56
VCAM1 P19320 7/20 0.56
CCNC P24863 5/20 0.56
CDK8 P49336 5/20 0.56
CSNK1D P48730 3/20 0.55
GSK3A P49840 3/20 0.55
GSK3B P49841 3/20 0.55
DYRK1A Q13627 3/20 0.55
AURKB Q96GD4 3/20 0.55
RPS6KB1 P23443 2/20 0.55
NTRK2 Q16620 1/20 0.55
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49

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
SCHEMBL31509890 0.84 ICAM1 (0.54) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL27192049 0.84 ICAM1 (0.54) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL30744198 0.83 CSNK1D (0.63) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL660155 0.83 CSNK1D (0.63) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7060300 0.83 ICAM1 (0.57) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL660279 0.82 ICAM1 (0.66) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL30744193 0.82 ICAM1 (0.66) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL29831616 0.82 ICAM1 (0.56) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL5550652 0.82 ICAM1 (0.56) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL31059946 0.82 ICAM1 (0.56) 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 ICAM1 4375/4885SELE 4256/4885VCAM1 3221/4885

“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.