SCHEMBL24926744

SCHEMBL24926744

Cn1cc(-c2cccc(Oc3ccc(NC(=O)OC(C)(C)C)c(F)c3)c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.41
BRD9 Q9H8M2 1/20 0.40
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
KDR P35968 4/20 0.38
P2RY14 Q15391 1/20 0.38
SCN9A Q15858 3/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL30203099 1.00 CYP17A1 (0.41) CYP17A1BRD9GSK3BDYRK1AWNT1
SCHEMBL23355385 0.87 GSK3B (0.42) GSK3BDYRK1AWNT1KDRMAPK14
SCHEMBL23355465 0.81 GSK3B (0.37) GSK3BDYRK1AWNT1KDRHDAC3
SCHEMBL23368213 0.80 CYP17A1 (0.42) CYP17A1BRD9KDRFLT1
SCHEMBL30203277 0.80 CYP17A1 (0.42) CYP17A1BRD9KDRFLT1
SCHEMBL30255795 0.78 CYP17A1 (0.50) CYP17A1BRD9GSK3BDYRK1AKDR
SCHEMBL24028376 0.78 CYP17A1 (0.50) CYP17A1BRD9GSK3BDYRK1AKDR
SCHEMBL23368165 0.78 RAB9A (0.47) CYP17A1KDRMAPK14MAPK13FLT1
SCHEMBL23368104 0.78 KDM4E (0.45) CYP17A1BRD9KDRFLT1
SCHEMBL30203359 0.78 KDM4E (0.45) CYP17A1BRD9KDRFLT1

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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 CYP17A1 599/4885BRD9 664/4885GSK3B 1438/4885

“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.