SCHEMBL12899166

SCHEMBL12899166

CN1CCCC1CCNC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.56
AAK1 Q2M2I8 6/20 0.56
GSK3A P49840 3/20 0.56
PIK3CD O00329 1/20 0.56
PIM1 P11309 1/20 0.56
CDK2 P24941 1/20 0.56
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50

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
SCHEMBL4482945 0.93 GSK3B (0.51) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL12886233 0.91 GSK3B (0.45) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4488374 0.91 HDAC6 (0.53) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL12886077 0.90 HDAC6 (0.51) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL12899164 0.89 GSK3B (0.47) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4480802 0.89 CHRM3 (0.47) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL12899596 0.88 LCK (0.45) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4500034 0.88 GSK3B (0.58) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4486750 0.87 HDAC1 (0.59) GSK3BAAK1GSK3AFGFR1FGFR2
SCHEMBL4499391 0.87 AAK1 (0.61) GSK3BAAK1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 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-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 GSK3B 5/4885AAK1 441/4885GSK3A 8/4885

“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.