SCHEMBL3490816

SCHEMBL3490816

Sc1nnc(-c2ccc3[nH]ncc3c2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
DBF4 Q9UBU7 1/20 0.55
GSK3B P49841 6/20 0.51
CLK1 P49759 2/20 0.51
CLK2 P49760 2/20 0.51
CDK5 Q00535 2/20 0.51
DYRK1A Q13627 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
DYRK1B Q9Y463 2/20 0.51
DYRK3 O43781 1/20 0.51
CLK3 P49761 1/20 0.51
CDK5R1 Q15078 1/20 0.51
DYRK2 Q92630 1/20 0.51
PIM1 P11309 4/20 0.48
AURKB Q96GD4 4/20 0.48
ROCK2 O75116 4/20 0.48
JAK2 O60674 2/20 0.48
KDR P35968 2/20 0.48

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
SCHEMBL30409556 0.82 CDC7 (0.55) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL25185033 0.82 CDC7 (0.55) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL2191369 0.75 CDK2 (0.71) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL2191428 0.74 GSK3B (0.53) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL12506933 0.72 CDK2 (1.00) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL23558460 0.71 CDC7 (0.45) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL23558475 0.71 CDK2 (0.47) CDC7CCNE1CDK2DBF4GSK3B
SCHEMBL232173 0.71 APP (0.50) DYRK1BQPCTLCKBTKMEN1
SCHEMBL2461478 0.70 GSK3B (0.60) GSK3BCLK1CLK2CDK5DYRK1A
SCHEMBL1706431 0.70 QPCT (0.50) QPCT

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 CDC7 1097/4885CCNE1 2505/4885CDK2 323/4885

“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.