SCHEMBL3491983

SCHEMBL3491983

Cc1nnc(-c2ccc3occ(-c4cccnc4)c3c2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.61
RAB9A P51151 7/20 0.48
NPC1 O15118 6/20 0.48
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3490534 0.86 GSK3B (0.72) GSK3BNPC1POLB
SCHEMBL3491994 0.85 GSK3B (0.70) GSK3B
SCHEMBL3492032 0.83 GSK3B (0.70) GSK3B
SCHEMBL3491394 0.81 GSK3B (0.56) GSK3B
SCHEMBL3490676 0.81 GSK3B (0.49) GSK3BKDM4EHSD17B10MAPK1ALDH1A1
SCHEMBL3492891 0.81 GSK3B (0.61) GSK3B
SCHEMBL3491706 0.81 GSK3B (0.61) GSK3BRAB9ANPC1SMN1; SMN2TP53
SCHEMBL3493645 0.81 GSK3B (0.67) GSK3B
SCHEMBL3490917 0.81 GSK3B (0.61) GSK3B
SCHEMBL3491608 0.80 GSK3B (0.70) GSK3BRAB9ANPC1

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-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP GSK3B 1/4885RAB9A 3231/4885NPC1 1571/4885

“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.