SCHEMBL13711331

SCHEMBL13711331

C[C@H]1[C@@H](c2ccccc2)OCCN1c1nc(-c2ccncc2)cc(=O)n1C

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 0.67
CYP2D6 P10635 5/20 0.67
CYP1A2 P05177 3/20 0.67

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
SCHEMBL13711329 1.00 GSK3B (0.67) GSK3BCYP2D6CYP1A2
SCHEMBL8232107 0.89 GSK3B (0.56) GSK3BCYP2D6CYP1A2
SCHEMBL13711336 0.87 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL13711330 0.87 GSK3B (0.61) GSK3BCYP2D6CYP1A2
SCHEMBL13711354 0.86 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL8232671 0.86 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL8234274 0.86 GSK3B (0.62) GSK3BCYP2D6CYP1A2
SCHEMBL13711332 0.85 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL13711328 0.85 GSK3B (0.60) GSK3BCYP2D6CYP1A2
SCHEMBL8232567 0.82 GSK3B (0.62) GSK3BCYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-8569294-B2 2-(cyclic amino)-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-29 US disclosed
US-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 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-20090233918-A1 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES MAPT, PRMT1, PSEN1 GSK3B 140/4885CYP2D6 2510/4885CYP1A2 2460/4885

“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.