SCHEMBL18158156

SCHEMBL18158156

COc1cc2ncnc(Nc3ccc(C(=O)c4ccccc4)cc3)c2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 6/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KDR P35968 9/20 0.76
▸ EGFR P00533 8/20 0.75
▸ RET P07949 2/20 0.75
▸ LCK P06239 1/20 0.73
▸ MAPK14 Q16539 3/20 0.70
▸ RIPK2 O43353 2/20 0.69
▸ EPHB2 P29323 1/20 0.69
▸ IRAK4 Q9NWZ3 2/20 0.68
▸ GAK O14976 1/20 0.68
▸ STK10 O94804 1/20 0.68
▸ FLT3 P36888 1/20 0.68
▸ JAK3 P52333 1/20 0.68
▸ AAK1 Q2M2I8 1/20 0.68
▸ Q6ZSR9 Q6ZSR9 1/20 0.68
▸ SLK Q9H2G2 1/20 0.68
▸ RPS6KA6 Q9UK32 1/20 0.68
▸ ALK Q9UM73 1/20 0.68

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
Hydrochloric Acid SCHEMBL8809205 0.99 AURKB (0.78) AURKBAURKAKDREGFRRET
Anilinoquinazoline1 SCHEMBL1066538 0.89 AURKB (1.00) AURKBAURKAKDREGFRMAPK14
Anilinoquinazoline1 SCHEMBL30195580 0.89 AURKB (1.00) AURKBAURKAKDREGFRMAPK14
SCHEMBL8933899 0.88 AURKB (0.94) AURKBAURKAKDREGFRMAPK14
Anilinoquinazoline1 SCHEMBL3968007 0.88 AURKB (0.98) AURKBAURKAKDREGFRMAPK14
Hydrochloric Acid SCHEMBL8807604 0.87 EGFR (0.76) AURKBAURKAKDREGFRRET
SCHEMBL5473733 0.87 KDR (0.74) AURKBAURKAKDREGFRRET
Hydrochloric Acid SCHEMBL8807597 0.87 AURKB (0.92) AURKBAURKAKDREGFRLCK
SCHEMBL27737748 0.87 AURKB (0.74) AURKBAURKAKDREGFRRET
SCHEMBL1387182 0.86 EGFR (0.94) AURKBAURKAKDREGFRRET

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-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 — — US disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 — — 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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS AURKB 339/4885AURKA 532/4885KDR 1123/4885

“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.

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