SCHEMBL7056862

SCHEMBL7056862

N#CN=C(N)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1.O=[N+]([O-])c1ccccc1C(O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 14/20 0.49
CCNC P24863 13/20 0.49
ICAM1 P05362 11/20 0.49
SELE P16581 11/20 0.49
VCAM1 P19320 8/20 0.49
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
PIM1 P11309 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP4K2 Q12851 1/20 0.41

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
SCHEMBL7058222 0.88 CDK8 (0.51) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051879 0.82 CDK8 (0.69) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051877 0.82 CDK8 (0.69) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7052905 0.75 CDK8 (0.60) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7053719 0.74 CDK8 (0.53) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7058568 0.73 CDK8 (0.62) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051901 0.71 CDK8 (0.74) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051906 0.71 CDK8 (0.74) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7055169 0.69 ICAM1 (1.00) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7052468 0.69 CDK8 (0.78) CDK8CCNCICAM1SELEVCAM1

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 claimed

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 CDK8 2986/4885CCNC 1780/4885ICAM1 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.