SCHEMBL23355377

SCHEMBL23355377

O=C(O)Nc1ccc(Oc2cccc(-c3nnc(C4CC4)o3)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNKS O95271 5/20 0.41
PARP2 Q9UGN5 4/20 0.41
PARP1 P09874 3/20 0.41
DHODH Q02127 4/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.39
LCLAT1 Q6UWP7 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
SCHEMBL30203050 0.87 KDM4E (0.40) KDM4EMAPTALDH1A1TNKSPARP2
SCHEMBL23368199 0.87 KDM4E (0.40) KDM4EMAPTALDH1A1TNKSPARP2
SCHEMBL23355402 0.86 KDM4E (0.41) KDM4EMAPTALDH1A1TNKSPARP2
SCHEMBL23355373 0.85 KDM4E (0.45) KDM4EMAPTALDH1A1SMN1; SMN2DHODH
Trifluoroacetic Acid SCHEMBL23355399 0.81 KDM4E (0.45) KDM4EMAPTALDH1A1TNKSPARP2
SCHEMBL23368034 0.80 KDM4E (0.50) KDM4EMAPTALDH1A1TP53POLB
SCHEMBL23355350 0.79 MAPK14 (0.35) KDM4EMAPTALDH1A1SMN1; SMN2TNKS
SCHEMBL21612784 0.74 KDM4E (0.47) KDM4EMAPTALDH1A1SMN1; SMN2TNKS
SCHEMBL23368213 0.74 CYP17A1 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2DHODH
SCHEMBL30203277 0.74 CYP17A1 (0.42) KDM4EMAPTALDH1A1SMN1; SMN2DHODH

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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 EP 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 KDM4E 2631/4885MAPT 4074/4885ALDH1A1 2836/4885

“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.