SCHEMBL13763963

SCHEMBL13763963

COCc1cccc(Nc2ncc3nnn(-c4cccc(CCO)c4)c3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 6/20 0.53
▸ GSK3B P49841 6/20 0.53
▸ AURKA O14965 4/20 0.49
▸ EIF2AK4 Q9P2K8 2/20 0.46
▸ CYP1A2 P05177 9/20 0.41
▸ CYP2C9 P11712 9/20 0.41
▸ USP2 O75604 8/20 0.41
▸ CYP3A4 P08684 8/20 0.41
▸ CLK4 Q9HAZ1 6/20 0.41
▸ LMNA P02545 5/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ CYP2C19 P33261 6/20 0.41
▸ TSHR P16473 6/20 0.41
▸ CASP1 P29466 5/20 0.41
▸ CYP2D6 P10635 1/20 0.41

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
SCHEMBL13763949 1.00 GSK3A (0.53) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13763931 0.93 GSK3A (0.60) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13763938 0.93 GSK3A (0.58) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13763943 0.93 GSK3A (0.54) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13763965 0.92 GSK3A (0.61) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL8257418 0.89 GSK3A (0.68) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL8295787 0.89 GSK3A (0.68) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13764036 0.88 GSK3A (0.49) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13303696 0.88 GSK3A (0.69) GSK3AGSK3BAURKAEIF2AK4CYP1A2
SCHEMBL13763970 0.88 GSK3A (0.55) GSK3AGSK3BAURKAEIF2AK4CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560458-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 — — US disclosed
US-7560458-B2 Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-07-14 — — US disclosed
US-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors EDGARD EDDY JEAN 2009-02-05 — — US disclosed
US-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors EDGARD EDDY JEAN 2009-02-05 — — 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-20090036471-A1 Triazolopyrimidine Derivatives As Glycogen Synthase Kinase 3 Inhibitors GSK3B, GSK3A, GYS2 GSK3A 2/4885GSK3B 1/4885AURKA 173/4885

“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.

Send feedback