SCHEMBL2488030

SCHEMBL2488030

CN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.48
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.41
ACHE P22303 1/20 0.41
CYP3A4 P08684 2/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
DRD2 P14416 1/20 0.40
HPGD P15428 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ROCK2 O75116 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2492246 0.91 GSK3B (0.47) GSK3BCYP2D6CYP1A2ACHE
SCHEMBL2486160 0.91 GSK3B (0.49) GSK3BCYP2D6CYP1A2
SCHEMBL2491312 0.87 GSK3B (0.49) GSK3BCYP2D6CYP1A2ACHEDRD2
SCHEMBL2491417 0.85 GSK3B (0.46) GSK3BCYP2D6CYP1A2ALDH1A1HPGD
SCHEMBL2486230 0.84 GSK3B (0.45) GSK3BCYP2D6CYP1A2ALDH1A1
SCHEMBL2488680 0.84 GSK3B (0.48) GSK3BCYP2D6CYP1A2
SCHEMBL2490162 0.83 GSK3B (0.47) GSK3BCYP2D6CYP1A2
SCHEMBL2403922 0.82 GSK3B (0.54) GSK3BCYP2D6CYP1A2ROCK2
SCHEMBL2489805 0.81 GSK3B (0.45) GSK3BCYP2D6CYP1A2LMNACYP2C9
SCHEMBL2489903 0.81 GSK3B (0.41) GSK3BCYP2D6CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
EP-2057141-B1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2011-10-26 EP disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
US-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors PFIZER INC. (US) 2010-11-18 US disclosed
WO-2008023239-A1 PYRIMIDONE COMPOUNDS AS GSK-3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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-20100292205-A1 Pyrimidone Compounds As GSK-3 Inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885CYP2D6 516/4885CYP1A2 1200/4885

“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.