SCHEMBL4389047

SCHEMBL4389047

O=C(NC1CCCCn2c1nc(-c1ccncc1)cc2=O)c1ccc(-c2cccs2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.40
USP30 Q70CQ3 1/20 0.37
CYP3A4 P08684 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC2 Q92769 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 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
SCHEMBL4389917 0.89 HPGDS (0.39) HPGDSCYP3A4HDAC3HDAC10HDAC6
SCHEMBL4386108 0.85 RAB9A (0.41) HDAC6HDAC2ALDH1A1HDAC1HPGD
SCHEMBL4391262 0.85 ALDH1A1 (0.45) HDAC2ALDH1A1HPGDSMN1; SMN2
SCHEMBL4390474 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHDAC1HPGD
SCHEMBL4386460 0.79 SCN9A (0.46) HPGDS
SCHEMBL2065321 0.78 KDM4E (0.43) KDM4EMEN1KMT2A
SCHEMBL2065134 0.78 GSK3B (0.46) USP30MAPTHPGD
SCHEMBL4391863 0.76 MAPT (0.40) CYP3A4ALDH1A1MAPTMAPK1MEN1
SCHEMBL4391283 0.76 CYP2C9 (0.39) CYP3A4ALDH1A1KDM4EMAPK1MEN1
SCHEMBL4386384 0.76 CYP2C9 (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2

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-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
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 HPGDS 3624/4885USP30 3737/4885CYP3A4 1284/4885

“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.