SCHEMBL22925908

SCHEMBL22925908

COc1ccc(Nc2nnc(-c3ccc(OC(F)(F)F)cc3)o2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.55
ACHE P22303 2/20 0.53
HDAC1 Q13547 1/20 0.47
FPR2 P25090 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTPN7 P35236 2/20 0.43
DUSP3 P51452 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPRR Q15256 1/20 0.43
DUSP22 Q9NRW4 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL29620989 1.00 GSK3B (0.55) GSK3BACHEHDAC1FPR2PDCD1
SCHEMBL29696325 0.86 ACHE (0.47) GSK3BACHEHDAC1NPSR1BCHE
SCHEMBL22925909 0.86 ACHE (0.47) GSK3BACHEHDAC1NPSR1BCHE
SCHEMBL22925920 0.82 KDR (0.47) ALDH1A1KDM4ETP53HPGD
SCHEMBL29620883 0.82 KDR (0.47) ALDH1A1KDM4ETP53HPGD
SCHEMBL22583494 0.72 GSK3B (0.42) GSK3BACHEHDAC1PDCD1CD274
SCHEMBL29999758 0.72 GSK3B (0.42) GSK3BACHEHDAC1PDCD1CD274
SCHEMBL29621004 0.71 ACHE (0.49) GSK3BACHENPSR1BCHEBACE1
SCHEMBL24653364 0.71 GSK3B (0.46) GSK3BACHEHDAC1FPR2NPSR1
SCHEMBL17377353 0.71 GSK3B (1.00) GSK3BACHEPDCD1CD274NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB GSK3B 605/4885ACHE 3297/4885HDAC1 19/4885

“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.