SCHEMBL23355385

SCHEMBL23355385

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.42
DYRK1A Q13627 3/20 0.42
WNT1 P04628 2/20 0.42
KDR P35968 3/20 0.40
FLT1 P17948 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
DHODH Q02127 6/20 0.38
NR4A2 P43354 2/20 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
SCHEMBL24926744 0.87 CYP17A1 (0.41) GSK3BDYRK1AWNT1KDRFLT1
SCHEMBL30203099 0.87 CYP17A1 (0.41) GSK3BDYRK1AWNT1KDRFLT1
SCHEMBL23355465 0.85 GSK3B (0.37) GSK3BDYRK1AWNT1KDRFLT1
Trifluoroacetic Acid SCHEMBL23355464 0.80 STIM1 (0.38) GSK3BDYRK1AWNT1HDAC3HDAC4
SCHEMBL19707871 0.79 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24927738 0.79 ADORA2A (0.36) GSK3BDYRK1AWNT1HDAC3HDAC4
SCHEMBL23355373 0.79 KDM4E (0.45) DHODHMAPK14
SCHEMBL28522620 0.78 STIM1 (0.37) GSK3BDYRK1AWNT1HDAC3HDAC4
SCHEMBL23355412 0.77 KDM4E (0.47) HDAC1HDAC2HDAC8HDAC6DHODH
SCHEMBL25200778 0.75 HDAC3 (0.47) GSK3BDYRK1AWNT1KDRHDAC3

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 GSK3B 1438/4885DYRK1A 122/4885WNT1 1714/4885

“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.