SCHEMBL3492073

SCHEMBL3492073

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 12/20 0.46
MKNK2 Q9HBH9 12/20 0.46
ATM Q13315 1/20 0.43
DHFR P00374 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP3A4 P08684 1/20 0.41
FYN P06241 4/20 0.41
EIF4E P06730 1/20 0.39
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL3492855 0.86 ATM (0.45) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL3491072 0.70 ALDH1A1 (0.60) ATMFYN
SCHEMBL14145116 0.69 ATM (0.63) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL3490519 0.69 FYN (0.55) ATMFYN
SCHEMBL25148814 0.69 CHEK1 (0.46) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL25149703 0.69 ATM (0.51) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL14145396 0.68 ATM (0.62) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL3850100 0.67 PIK3CA (0.53) MKNK1MKNK2ATMCYP3A4FYN
SCHEMBL30209308 0.66 FYN (0.55) MKNK1MKNK2ATMFYN
SCHEMBL3490655 0.66 PIK3CA (0.42) MKNK1MKNK2CYP3A4EIF4E

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 MKNK1 577/4885MKNK2 877/4885ATM 2534/4885

“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.