SCHEMBL22556413

SCHEMBL22556413

CC=Cc1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
FLT1 P17948 3/20 0.42
KDR P35968 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL30463794 1.00 GSK3B (0.43) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22556410 1.00 GSK3B (0.43) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22571365 0.87 KDM4E (0.51) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL30463746 0.86 GSK3B (0.44) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22556571 0.86 GSK3B (0.44) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22571428 0.82 GSK3B (0.47) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22556465 0.80 GSK3B (0.48) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22556467 0.80 GSK3B (0.54) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22571368 0.80 GSK3B (0.45) GSK3BFLT1KDRABCG2KDM4E
SCHEMBL22556470 0.79 GSK3B (0.47) GSK3BFLT1KDRABCG2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661403-B2 Oxadiazole compounds VIVACE THERAPEUTICS, INC. (US) 2023-05-30 US disclosed
US-20210238154-A1 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. 2021-08-05 US disclosed
EP-3793551-A1 OXADIAZOLE COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-03-24 EP disclosed
WO-2019222431-A9 OXADIAZOLE COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2020-10-22 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 (2 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-20210238154-A1 OXADIAZOLE COMPOUNDS YAP1, TEAD2, TEAD3 GSK3B 193/4885FLT1 2445/4885KDR 1811/4885
US-11661403-B2 Oxadiazole compounds YAP1, TEAD2, TEAD3 GSK3B 193/4885FLT1 2445/4885KDR 1811/4885

“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.