SCHEMBL7054524

SCHEMBL7054524

O=[N+]([O-])c1ccc(-c2cc3c(Oc4ccc(Cl)cc4)cncc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 5/20 0.58
MAP2K1 Q02750 3/20 0.58
CDK8 P49336 13/20 0.57
CCNC P24863 12/20 0.57
ICAM1 P05362 5/20 0.56
SELE P16581 5/20 0.56
VCAM1 P19320 4/20 0.56
CCNT1 O60563 1/20 0.56
CDK9 P50750 1/20 0.56
PIM1 P11309 2/20 0.56
MAP4K2 Q12851 2/20 0.56
MAP2K2 P36507 1/20 0.56
DYRK3 O43781 1/20 0.54
MAP4K4 O95819 1/20 0.54
CDK1 P06493 1/20 0.54
RET P07949 1/20 0.54
CDK2 P24941 1/20 0.54
FLT4 P35916 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CLK2 P49760 1/20 0.54

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
SCHEMBL7057441 0.86 CDK8 (0.54) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7060318 0.83 MAP3K8 (0.63) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7053764 0.83 CDK8 (0.69) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7053179 0.83 MAP3K8 (0.63) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7051781 0.80 CDK8 (0.67) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7058586 0.78 CDK8 (0.65) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7053719 0.76 CDK8 (0.53) MAP3K8CDK8CCNCICAM1SELE
SCHEMBL5554204 0.76 MAP3K8 (0.71) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7059696 0.74 PIM1 (0.62) MAP3K8MAP2K1CDK8CCNCICAM1
SCHEMBL7058568 0.74 CDK8 (0.62) MAP3K8CDK8CCNCICAM1SELE

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
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 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 MAP3K8 2303/4885MAP2K1 4754/4885CDK8 2986/4885

“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.