SCHEMBL7797446

SCHEMBL7797446

NC(=O)c1cc2ccnc(Oc3ccccc3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
CDK8 P49336 5/20 0.43
MAPK8 P45983 3/20 0.43
CDK9 P50750 2/20 0.43
MAP2K1 Q02750 2/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43

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
SCHEMBL7855399 0.87 CDK8 (0.48) ICAM1SELECDK8MAPK8CDK9
SCHEMBL7055574 0.78 CCNC (0.47) ICAM1SELECDK8CDK9FLT1
SCHEMBL16011543 0.73 CDK8 (0.50) ICAM1SELECDK8MAPK8CDK9
SCHEMBL7056416 0.73 KDR (0.41) ICAM1SELECDK8MAP4K4PIM1
SCHEMBL8476094 0.72 ALDH1A1 (0.51) MAPK8ALDH1A1TDP1MAPK10RAB9A
SCHEMBL742272 0.68 RAB9A (0.75) MAPK8ALDH1A1TDP1RAB9AROCK2
SCHEMBL8568267 0.68 ALDH1A1 (0.48) MAPK8PIM1ALDH1A1TDP1MAPK10
SCHEMBL4558531 0.68 S1PR3 (0.46) ALDH1A1TDP1RAB9APARP10KDM4E
SCHEMBL4165034 0.67 SLC8A1 (0.54) ICAM1SELECDK8CCNCPARP10
Hydrochloric Acid SCHEMBL6831509 0.67 RAB9A (0.73) MAPK8ALDH1A1TDP1RAB9AROCK2

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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885CDK8 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.