SCHEMBL5555148

SCHEMBL5555148

COCNC(=O)c1cc2c(Oc3ccc(-c4ccccc4)cc3)cncc2s1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SELE P16581 16/20 0.76
ICAM1 P05362 15/20 0.76
VCAM1 P19320 6/20 0.76
MAP3K8 P41279 2/20 0.70
CCNC P24863 4/20 0.63
CDK8 P49336 4/20 0.63

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
SCHEMBL7051977 0.86 SELE (1.00) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL5555033 0.83 MAP3K8 (1.00) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL5550720 0.82 MAP3K8 (0.70) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL5550724 0.78 CCNC (0.66) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL7057307 0.77 CCNC (1.00) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL7055471 0.77 CCNC (0.79) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL5550764 0.77 MAP3K8 (0.71) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL7055228 0.76 ICAM1 (0.77) SELEICAM1VCAM1MAP3K8CCNC
SCHEMBL7057899 0.76 ICAM1 (1.00) SELEICAM1VCAM1CCNCCDK8
SCHEMBL7055724 0.76 CCNC (0.79) SELEICAM1VCAM1MAP3K8CCNC

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 SELE 4256/4885ICAM1 4375/4885VCAM1 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.