SCHEMBL5741723

SCHEMBL5741723

CN1CCC(c2nc(-c3ccncc3)cc(=O)n2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.54
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 3/20 0.51

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
SCHEMBL5741717 0.86 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL2488656 0.77 GSK3B (0.55) GSK3BCYP1A2CYP2D6
SCHEMBL2490246 0.77 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL2487968 0.76 GSK3B (0.54) GSK3BCYP1A2CYP2D6
SCHEMBL695979 0.75 GSK3B (0.72) GSK3BCYP1A2CYP2D6
SCHEMBL2488292 0.75 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL5741788 0.74 MAPK14 (0.42)
SCHEMBL8344197 0.74 GSK3B (0.60) GSK3BCYP1A2CYP2D6
SCHEMBL2490162 0.74 GSK3B (0.47) GSK3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL697107 0.74 GSK3B (0.71) GSK3BCYP1A2CYP2D6

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-7049318-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-05-23 US disclosed
EP-1654250-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2006-05-10 EP disclosed
WO-2005012286-A1 SUBSTITUTED PYRIDONES AND PYRIMIDINONES WITH ANTIINFLAMMATORY PROPERTIES AMGEN INC. (US) 2005-02-10 WO disclosed
US-20050020592-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-01-27 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-20050020592-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 GSK3B 205/4885CYP1A2 1295/4885CYP2D6 1798/4885

“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.