SCHEMBL3375649

SCHEMBL3375649

O=C(O)NC1CCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.40
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CDC7 O00311 1/20 0.37
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CSF1R P07333 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
MAPK1 P28482 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
CDK7 P50613 1/20 0.37

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
SCHEMBL2067123 0.86 ROCK1 (0.43) GSK3BCYP2C9ROCK2ROCK1
SCHEMBL2065004 0.86 PRKACA (0.47) GSK3BCDC7MAP4K4PIM1PRKACA
SCHEMBL2065134 0.84 GSK3B (0.46) GSK3BCYP1A2CYP2D6
SCHEMBL2065321 0.82 KDM4E (0.43)
SCHEMBL2066118 0.82 ALDH1A1 (0.43) GSK3BCYP1A2CGAS
SCHEMBL2066272 0.82 GRM5 (0.50) GSK3B
SCHEMBL4390474 0.80 ALDH1A1 (0.46) GSK3BHDAC1
SCHEMBL2065326 0.80 KMT2A (0.46) GSK3B
SCHEMBL2067127 0.80 HCRTR1 (0.41) GSK3BCGAS
SCHEMBL2066370 0.80 HCRTR1 (0.38) GSK3BCGAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP claimed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US claimed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP claimed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 WO claimed
EP-1957492-B1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI AVENTIS (FR) 2010-11-10 EP disclosed
US-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1957492-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES sanofi-aventis (FR) 2008-08-20 EP disclosed
EP-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP disclosed
WO-2007057790-A2 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2007-05-24 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-20090036427-A1 SUBSTITUTED BICYCLIC PYRIMIDONE DERIVATIVES GSK3B, GSK3A, PSEN1 GSK3B 1/4885CYP2C9 2318/4885CYP1A2 1784/4885

“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.