SCHEMBL3490958

SCHEMBL3490958

CCNc1nnc(-c2ccc3ncccc3c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 1/20 0.50
PIK3CA P42336 5/20 0.47
UTRN P46939 2/20 0.47
DYRK1A Q13627 1/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 1/20 0.45
ATR Q13535 1/20 0.45
CDC7 O00311 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
GSK3B P49841 1/20 0.44
QPCT Q16769 1/20 0.44

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
SCHEMBL3490613 0.80 GSK3B (0.58) NPC1RAB9AKDM4ETP53POLB
SCHEMBL3490625 0.79 SMN1; SMN2 (0.59) NPC1RAB9AALDH1A1TP53HSD17B10
SCHEMBL3493581 0.77 SMN1; SMN2 (0.66) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL3491401 0.76 NPC1 (0.46) NPC1RAB9AKDM4EALDH1A1HSD17B10
SCHEMBL3492438 0.75 NPC1 (0.59) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL12895806 0.74 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL3493538 0.74 NPC1 (0.57) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL12377800 0.72 KDM4E (0.68) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL2191369 0.72 CDK2 (0.71) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL11996756 0.71 RAB9A (1.00) NPC1RAB9AKDM4EALDH1A1TP53

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 NPC1 1571/4885RAB9A 3231/4885KDM4E 1112/4885

“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.