SCHEMBL2064928

SCHEMBL2064928

CC(C)Oc1ccccc1C(=O)NC1CCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.41
HMOX1 P09601 1/20 0.38
CGAS Q8N884 1/20 0.37
BRPF1 P55201 1/20 0.37
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
MEN1 O00255 1/20 0.36
GSK3B P49841 3/20 0.36
MAPT P10636 2/20 0.35
HCN1 O60741 1/20 0.35
HCN4 Q9Y3Q4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
GSK3A P49840 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM4D Q6B0I6 1/20 0.35

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
SCHEMBL2065326 0.90 KMT2A (0.46) BRPF1KMT2AHCRTR1HCRTR2MEN1
SCHEMBL3376845 0.88 HCRTR2 (0.46) KMT2AHCRTR1HCRTR2MEN1GSK3B
SCHEMBL2065962 0.88 KMT2A (0.46) CGASKMT2AHCRTR1HCRTR2MEN1
SCHEMBL2064796 0.86 CGAS (0.39) CGASKMT2AMEN1GSK3BMAPT
SCHEMBL2067036 0.86 CYP2C9 (0.40) KDM5ACGASHCRTR1HCRTR2GSK3B
SCHEMBL2064451 0.85 HCRTR2 (0.38) CGASKMT2AHCRTR1HCRTR2MEN1
SCHEMBL2065337 0.84 SMN1; SMN2 (0.45) KMT2AMAPTALDH1A1LMNA
SCHEMBL2066118 0.84 ALDH1A1 (0.43) CGASKMT2AHCRTR1HCRTR2MEN1
SCHEMBL2066786 0.83 GSK3B (0.47) KMT2AHCRTR1HCRTR2MEN1GSK3B
SCHEMBL4383616 0.82 MEN1 (0.47) BRPF1KMT2AMEN1ALDH1A1LMNA

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
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US claimed
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-1790649-A1 Substituted bicyclic pyrimidone derivatives Sanofi-Aventis (FR) 2007-05-30 EP claimed
US-8148364-B2 Substituted bicyclic pyrimidone derivatives SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
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 KDM5A 1670/4885HMOX1 3397/4885CGAS 2626/4885

“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.