SCHEMBL4377879

SCHEMBL4377879

COc1ncccc1C(=O)NC1CCCCn2c1nc(-c1ccncn1)cc2=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GSK3B P49841 14/20 0.41
ACKR3 P25106 1/20 0.39
NTRK1 P04629 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GPR6 P46095 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
SCHEMBL4378646 0.97 MEN1 (0.46) MEN1KMT2AGSK3BACKR3NTRK1
SCHEMBL4385219 0.94 MEN1 (0.43) MEN1KMT2AGSK3BNTRK1CYP2D6
SCHEMBL4952879 0.91 MEN1 (0.47) MEN1KMT2AACKR3NTRK1CYP1A2
SCHEMBL4381292 0.89 GSK3B (0.41) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL3661764 0.89 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL2065434 0.89 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4383616 0.88 MEN1 (0.47) MEN1KMT2AACKR3NTRK1L3MBTL1
SCHEMBL3659720 0.88 GSK3B (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL4379543 0.87 CYP1A2 (0.38) MEN1KMT2AGSK3BCYP2D6CYP1A2
SCHEMBL2064515 0.87 TDP1 (0.45) MEN1KMT2AGSK3BCYP2D6CYP1A2

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-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US claimed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP 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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP MEN1 3328/4885KMT2A 1497/4885GSK3B 1/4885

“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.