SCHEMBL20099865

SCHEMBL20099865

CCCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
RAB9A P51151 9/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 3/20 0.40
CNR2 P34972 3/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL626900 0.83 L3MBTL1 (0.44) GSK3AGSK3BRAB9ANPC1SMN1; SMN2
SCHEMBL15051210 0.79 ABL1 (0.46) RAB9ANPC1SMN1; SMN2
SCHEMBL31512022 0.77 USP30 (0.44) GSK3BCNR2CNR1
SCHEMBL29653022 0.76 CNR2 (0.38) CNR2CNR1
SCHEMBL23912778 0.75 NNMT (0.38) HSD17B10
SCHEMBL29354508 0.73 PDGFRB (0.37) GSK3AGSK3BRAB9AALDH1A1NPC1
SCHEMBL21384075 0.73 PDGFRB (0.37) GSK3AGSK3BRAB9AALDH1A1NPC1
SCHEMBL2560407 0.72 MAPK1 (0.43)
SCHEMBL27139969 0.72 GSK3A (0.40) GSK3AGSK3BRAB9AALDH1A1SMN1; SMN2
SCHEMBL17440108 0.72 UCHL1 (0.47) ALDH1A1NPC1SMN1; SMN2MAPTCNR2

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-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 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 (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-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B GSK3A 2933/4885GSK3B 2235/4885RAB9A 183/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B GSK3A 2933/4885GSK3B 2235/4885RAB9A 183/4885

“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.