SCHEMBL2065404

SCHEMBL2065404

COc1ccc(Br)cc1C(=O)NC1CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 2/20 0.40
GSK3B P49841 13/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL2064918 0.98 DRD2 (0.43) MEN1KMT2ADRD2GSK3BCYP1A2
SCHEMBL2064445 0.91 GSK3B (0.41) GSK3BCYP1A2CYP2D6CYP3A4
SCHEMBL2065813 0.90 KCNMA1 (0.42) MEN1KMT2ADRD2GSK3BCYP1A2
SCHEMBL3661580 0.90 GSK3B (0.44) GSK3BCYP1A2CYP2D6CYP3A4
SCHEMBL2065553 0.89 KMT2A (0.43) MEN1KMT2ADRD2GSK3BCYP1A2
SCHEMBL2065434 0.89 GSK3B (0.45) MEN1KMT2AGSK3BCYP1A2CYP2D6
SCHEMBL3662756 0.88 GSK3B (0.44) GSK3BCYP1A2CYP2D6ALDH1A1CYP3A4
SCHEMBL3402010 0.88 GSK3B (0.39) MEN1KMT2AGSK3BCYP1A2CYP2D6
SCHEMBL2065310 0.88 DRD2 (0.43) DRD2GSK3BCYP1A2CYP2D6
SCHEMBL2066169 0.88 POLB (0.49) MEN1KMT2ADRD2CYP1A2CYP2D6

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 MEN1 3696/4885KMT2A 1782/4885DRD2 1186/4885

“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.