SCHEMBL3492855

SCHEMBL3492855

CSc1ccc(-c2cnc3ccc(C(=O)NN)cn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MLLT3 P42568 1/20 0.42
MLLT1 Q03111 1/20 0.42
MKNK1 Q9BUB5 6/20 0.42
MKNK2 Q9HBH9 6/20 0.42
FYN P06241 8/20 0.42
CYP3A4 P08684 1/20 0.40
TTK P33981 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL3492073 0.86 MKNK1 (0.46) ATMMLLT3MLLT1MKNK1MKNK2
SCHEMBL3491072 0.83 ALDH1A1 (0.60) ATMKDM4ENPC1ALDH1A1POLB
SCHEMBL3491776 0.73 IRAK4 (0.47) ATMKDM4ENPC1ALDH1A1POLB
SCHEMBL25148814 0.73 CHEK1 (0.46) ATMKDM4ENPC1ALDH1A1RAB9A
SCHEMBL27399110 0.72 KDM4E (0.48) KDM4ENPC1ALDH1A1POLBGAA
SCHEMBL2830827 0.72 PLK1 (0.68) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL3490519 0.70 FYN (0.55) ATMKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14145116 0.70 ATM (0.63) ATMMKNK1MKNK2FYNCYP3A4
SCHEMBL25149703 0.70 ATM (0.51) ATMKDM4EMKNK1MKNK2FYN
SCHEMBL14145396 0.69 ATM (0.62) ATMMKNK1MKNK2FYNCYP3A4

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 ATM 2534/4885KDM4E 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.