SCHEMBL2065745

SCHEMBL2065745

O=C(NC1CCCCn2c1nc(-c1ccncn1)cc2=O)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GSK3B P49841 14/20 0.39
CYP2D6 P10635 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2066088 0.97 GSK3B (0.40) KDM4EALDH1A1LMNANPC1HPGD
SCHEMBL2065434 0.88 GSK3B (0.45) LMNAGSK3BCYP2D6CYP1A2
SCHEMBL4379543 0.88 CYP1A2 (0.38) GSK3BCYP2D6CYP3A4CYP1A2CAMKK2
SCHEMBL3398498 0.87 GSK3B (0.38) GSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL2065082 0.86 GSK3B (0.39) GSK3BCYP2D6CYP1A2
SCHEMBL4377879 0.85 MEN1 (0.45) GSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL2065359 0.85 GSK3B (0.46) LMNAGSK3BCYP2D6CYP1A2
SCHEMBL2066076 0.85 GSK3B (0.47) HTTGSK3BCYP2D6CYP3A4CYP1A2
SCHEMBL4380168 0.85 GSK3B (0.38) GSK3BCYP2D6CYP1A2
SCHEMBL3400978 0.85 GSK3B (0.39) GSK3BCYP2D6CYP3A4CYP1A2

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
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
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

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 KDM4E 2487/4885ALDH1A1 1204/4885LMNA 1582/4885

“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.