SCHEMBL2065553

SCHEMBL2065553

COc1ccc(Br)cc1C(=O)NC1CCCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
DRD2 P14416 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
LMNA P02545 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GFER P55789 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
SCHEMBL2066338 0.90 KCNMA1 (0.46) KMT2AMEN1DRD2ALDH1A1LMNA
SCHEMBL2065404 0.89 MEN1 (0.41) KMT2AMEN1DRD2ALDH1A1CYP1A2
SCHEMBL2065962 0.89 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2064918 0.87 DRD2 (0.43) KMT2AMEN1DRD2ALDH1A1CYP1A2
SCHEMBL2065326 0.86 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2065165 0.85 TSHR (0.42) KMT2AMEN1ALDH1A1CYP2D6MAPT
SCHEMBL2066082 0.85 CRBN (0.47) KMT2AMEN1ALDH1A1GSK3B
SCHEMBL2065579 0.85 GSK3B (0.46) KMT2AMEN1ALDH1A1CYP2D6MAPT
SCHEMBL2065921 0.85 F10 (0.45) ALDH1A1
SCHEMBL4952879 0.83 MEN1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C9

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 KMT2A 1782/4885MEN1 3696/4885DRD2 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.