SCHEMBL30203277

SCHEMBL30203277

Cc1nnc(-c2cccc(Oc3ccc(NC(=O)OC(C)(C)C)c(F)c3)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
KDM4E B2RXH2 5/20 0.41
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LCLAT1 Q6UWP7 2/20 0.39
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRD9 Q9H8M2 1/20 0.39
DHODH Q02127 1/20 0.38
THRB P10828 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL23368213 1.00 CYP17A1 (0.42) CYP17A1KDM4ETP53POLBMAPT
SCHEMBL21616262 0.89 KDM4E (0.41) KDM4ETP53POLBMAPTALDH1A1
SCHEMBL30203153 0.89 KDM4E (0.41) KDM4ETP53POLBMAPTALDH1A1
SCHEMBL23355373 0.88 KDM4E (0.45) KDM4ETP53POLBMAPTALDH1A1
SCHEMBL30203143 0.88 MAPT (0.41) CYP17A1KDM4ETP53POLBMAPT
SCHEMBL24926621 0.88 MAPT (0.41) CYP17A1KDM4ETP53POLBMAPT
SCHEMBL23368199 0.86 KDM4E (0.40) CYP17A1KDM4ETP53POLBMAPT
SCHEMBL30203050 0.86 KDM4E (0.40) CYP17A1KDM4ETP53POLBMAPT
SCHEMBL23368165 0.81 RAB9A (0.47) CYP17A1MAPTALDH1A1KDRFLT1
SCHEMBL23368104 0.81 KDM4E (0.45) CYP17A1KDM4EPOLBALDH1A1KDR

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 599/4885KDM4E 2631/4885TP53 79/4885

“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.