SCHEMBL2489073

SCHEMBL2489073

CCN(c1nc(-c2ccncc2)cc(=O)n1C)C1CCCN(C(=O)Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.44
MAP3K12 Q12852 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
POLB P06746 1/20 0.38
LCK P06239 1/20 0.38
PIN1 Q13526 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2489981 0.93 GSK3B (0.44) GSK3BMAP3K12CYP1A2CYP2D6ALDH1A1
SCHEMBL2491589 0.90 GSK3B (0.47) GSK3BCYP1A2CYP2D6
SCHEMBL2490222 0.88 GSK3B (0.45) GSK3BMAP3K12CYP1A2CYP2D6
SCHEMBL2486230 0.87 GSK3B (0.45) GSK3BMAP3K12CYP1A2CYP2D6ALDH1A1
SCHEMBL2489124 0.86 GSK3B (0.47) GSK3BCYP1A2CYP2D6ALDH1A1POLB
SCHEMBL2526541 0.83 GSK3B (0.45) GSK3BCYP1A2CYP2D6
SCHEMBL2488825 0.83 GSK3B (0.46) GSK3BCYP1A2CYP2D6
SCHEMBL2488773 0.82 GSK3B (0.41) GSK3BCYP1A2CYP2D6
SCHEMBL2488653 0.82 GSK3B (0.42) GSK3BCYP1A2CYP2D6
SCHEMBL2492246 0.81 GSK3B (0.47) 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 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 1/4885MAP3K12 235/4885CYP1A2 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.