SCHEMBL3490613

SCHEMBL3490613

c1ccc(Nc2nnc(-c3ccc4ncccc4c3)o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.58
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ACHE P22303 5/20 0.51
PIK3CA P42336 1/20 0.50
POLB P06746 1/20 0.50
ATR Q13535 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KDR P35968 2/20 0.49
FLT1 P17948 1/20 0.49
QPCT Q16769 2/20 0.47
DYRK1A Q13627 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL3490625 0.89 SMN1; SMN2 (0.59) GSK3BRAB9ANPC1MEN1TP53
SCHEMBL3490958 0.80 NPC1 (0.55) GSK3BRAB9ANPC1TP53ACHE
SCHEMBL3491401 0.76 NPC1 (0.46) GSK3BRAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL1011248 0.76 PABPC1 (0.59) RAB9ANPC1MEN1TP53KMT2A
SCHEMBL455366 0.75 GSK3B (1.00) GSK3BRAB9ANPC1MEN1TP53
SCHEMBL3492438 0.75 NPC1 (0.59) GSK3BRAB9ANPC1TP53SMN1; SMN2
SCHEMBL2791886 0.75 ABCB1 (0.61) RAB9ANPC1MEN1TP53KMT2A
SCHEMBL3493581 0.74 SMN1; SMN2 (0.66) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3493538 0.74 NPC1 (0.57) RAB9ANPC1TP53SMN1; SMN2ACHE
SCHEMBL27837899 0.73 GSK3B (0.81) GSK3BRAB9ANPC1MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US claimed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
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
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.