SCHEMBL12415775

SCHEMBL12415775

COc1cc2ncnc(Nc3ccc4sc(CC(=O)c5ccccc5)nc4c3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.59
AURKA O14965 2/20 0.59
KDR P35968 8/20 0.59
EPHA2 P29317 2/20 0.59
EPHB4 P54760 2/20 0.59
EGFR P00533 9/20 0.58
MAPK14 Q16539 4/20 0.58
IRAK4 Q9NWZ3 1/20 0.55
RET P07949 2/20 0.54
LCK P06239 1/20 0.53
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
CDK2 P24941 1/20 0.52
PIK3R1 P27986 1/20 0.52
EPHB2 P29323 1/20 0.52
KIF5B P33176 1/20 0.52
TTBK1 Q5TCY1 1/20 0.52

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
SCHEMBL2190156 0.85 AURKB (0.71) AURKBAURKAKDREGFRMAPK14
SCHEMBL2189831 0.78 AURKB (0.71) AURKBAURKAKDREGFRMAPK14
SCHEMBL18158156 0.77 AURKB (0.80) AURKBAURKAKDREGFRMAPK14
SCHEMBL2195995 0.76 EGFR (0.78) AURKBAURKAKDREGFRRET
SCHEMBL2192340 0.76 EGFR (0.78) AURKBAURKAKDREGFRRET
Hydrochloric Acid SCHEMBL8809205 0.76 AURKB (0.78) AURKBAURKAKDREGFRMAPK14
Anilinoquinazoline1 SCHEMBL30195580 0.75 AURKB (1.00) AURKBAURKAKDREGFRMAPK14
Anilinoquinazoline1 SCHEMBL1066538 0.75 AURKB (1.00) AURKBAURKAKDREGFRMAPK14
SCHEMBL3947988 0.74 AURKB (0.71) AURKBAURKAKDREGFRMAPK14
SCHEMBL906972 0.74 EPHA2 (1.00) KDREPHA2EPHB4EGFRFLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 US disclosed
US-20110172241-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2011-07-14 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-20110172241-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 AURKB 1348/4885AURKA 1705/4885KDR 4179/4885

“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.