SCHEMBL3491072

SCHEMBL3491072

COc1ccc(-c2cnc3ccc(C(=O)NN)cn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
FYN P06241 6/20 0.51
CLK1 P49759 4/20 0.51
DYRK1A Q13627 1/20 0.51
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RIPK2 O43353 2/20 0.47
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ATM Q13315 1/20 0.45
RAD52 P43351 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3490519 0.88 FYN (0.55) KDM4ENPC1RAB9ACA1CA2
SCHEMBL30209308 0.85 FYN (0.55) ALDH1A1KDM4EGAACA1CA2
SCHEMBL3492855 0.83 ATM (0.45) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL25148814 0.78 CHEK1 (0.46) ALDH1A1KDM4ENPC1RAB9AFYN
SCHEMBL3854288 0.75 PIK3CA (0.65) KDM4ERAB9AFYNCLK1DYRK1A
SCHEMBL13874587 0.75 FYN (0.45) ALDH1A1KDM4ECA1CA2FYN
SCHEMBL31403949 0.75 PIK3CD (0.47) ALDH1A1NPC1RAB9APOLBFYN
SCHEMBL29229609 0.75 PIK3CD (0.47) ALDH1A1POLBFYNCLK1DYRK1A
SCHEMBL7318116 0.74 CA1 (0.89) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL14668468 0.74 FYN (0.53) FYNCLK1DYRK1ARIPK2PRMT5

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 ALDH1A1 1473/4885KDM4E 1112/4885NPC1 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.