SCHEMBL3490655

SCHEMBL3490655

CSc1ccc(-c2cnc3ccc(-c4nnc(C)o4)cn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.42
PIK3R1 P27986 1/20 0.42
KCNH2 Q12809 1/20 0.40
PCSK9 Q8NBP7 1/20 0.39
FGFR3 P22607 4/20 0.39
KDR P35968 2/20 0.39
MKNK1 Q9BUB5 5/20 0.36
MKNK2 Q9HBH9 5/20 0.36
CYP3A4 P08684 1/20 0.36
EIF4E P06730 1/20 0.36
FLT3 P36888 3/20 0.36
MTOR P42345 1/20 0.36
GSK3B P49841 1/20 0.35
TGFBR1 P36897 1/20 0.34
ALDH1A3 P47895 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34

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
SCHEMBL3491190 0.81 PIK3CA (0.43) PIK3CAPIK3R1KCNH2FGFR3KDR
SCHEMBL27399120 0.77 PIK3R1 (0.39) PIK3CAPIK3R1FGFR3KDRMKNK1
SCHEMBL3492855 0.68 ATM (0.45) MKNK1MKNK2CYP3A4
SCHEMBL15743442 0.67 KCNH2 (0.40) PIK3CAKCNH2MKNK1MKNK2CYP3A4
SCHEMBL19368318 0.67 GSK3B (0.57) GSK3B
SCHEMBL15287989 0.66 KDR (0.57) PIK3CAKCNH2KDRMKNK1MKNK2
Hydrochloric Acid SCHEMBL3846185 0.66 FLT3 (0.43) PIK3CAMKNK1FLT3MTORGSK3B
SCHEMBL3492073 0.66 MKNK1 (0.46) MKNK1MKNK2CYP3A4EIF4E
SCHEMBL3848376 0.66 PIK3CA (0.43) PIK3CAFLT3MTOR
SCHEMBL27030682 0.65 FGFR3 (0.48) FGFR3KDRFLT3

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 PIK3CA 417/4885PIK3R1 591/4885KCNH2 4384/4885

“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.