SCHEMBL24927738

SCHEMBL24927738

Cn1cc(-c2cccc(Oc3ccc(N)c(F)c3)c2)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
STIM1 Q13586 2/20 0.35
ORAI1 Q96D31 2/20 0.35

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
Trifluoroacetic Acid SCHEMBL23355464 0.91 STIM1 (0.38) ADORA2AADORA1WNT1GSK3BDYRK1A
SCHEMBL19707871 0.85 HDAC3 (0.43) KEAP1NFE2L2HDAC3HDAC4HDAC1
SCHEMBL23355424 0.85 KEAP1 (0.35) KEAP1NFE2L2HDAC3HDAC4HDAC1
SCHEMBL23355385 0.79 GSK3B (0.42) WNT1GSK3BDYRK1AHDAC3HDAC4
SCHEMBL23019011 0.78 HDAC3 (0.41) KEAP1NFE2L2HDAC3HDAC4HDAC1
SCHEMBL21612766 0.78 HDAC3 (0.35) WNT1GSK3BDYRK1AKEAP1NFE2L2
SCHEMBL28522620 0.76 STIM1 (0.37) WNT1GSK3BDYRK1AHDAC3HDAC4
SCHEMBL19454746 0.76 CHRNB2 (0.53) DYRK1AKEAP1NFE2L2HDAC3HDAC4
SCHEMBL23355465 0.75 GSK3B (0.37) WNT1GSK3BDYRK1AHDAC3HDAC4
SCHEMBL24926744 0.75 CYP17A1 (0.41) WNT1GSK3BDYRK1AHDAC3HDAC4

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 ADORA2A 3811/4885ADORA1 3455/4885WNT1 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.