SCHEMBL3490519

SCHEMBL3490519

COC(=O)c1ccc2ncc(-c3ccc(OC)cc3)n2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.55
CLK1 P49759 3/20 0.52
DYRK1A Q13627 1/20 0.52
TRIM33 Q9UPN9 3/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
RIPK2 O43353 2/20 0.50
TRIM24 O15164 1/20 0.47
FLT3 P36888 2/20 0.47
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL30209308 0.90 FYN (0.55) FYNCLK1DYRK1ACA1CA2
SCHEMBL3491072 0.88 ALDH1A1 (0.60) FYNCLK1DYRK1ACA1CA2
SCHEMBL25148814 0.87 CHEK1 (0.46) FYNRIPK2ATMKDM4ENPC1
SCHEMBL25149584 0.84 MKNK1 (0.44) FYNCLK1DYRK1ATRIM33RIPK2
SCHEMBL3850100 0.83 PIK3CA (0.53) FYNRIPK2ATMKDM4E
SCHEMBL25149690 0.81 FYN (0.49) FYNTRIM33RIPK2TRIM24ATM
SCHEMBL18609148 0.80 PIK3CA (0.58) FYNCLK1ATM
SCHEMBL15298893 0.80 MKNK1 (0.50) FYNCLK1RIPK2FLT3ATM
SCHEMBL30399843 0.79 MKNK1 (0.45) FYNTRIM33RIPK2TRIM24ATM
SCHEMBL3854288 0.79 PIK3CA (0.65) FYNCLK1DYRK1ATRIM33RIPK2

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 FYN 920/4885CLK1 2065/4885DYRK1A 965/4885

“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.