SCHEMBL2065962

SCHEMBL2065962

COc1ccccc1C(=O)NC1CCCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
GSK3B P49841 2/20 0.41
KDM4D Q6B0I6 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CGAS Q8N884 1/20 0.40

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
SCHEMBL2065326 0.97 KMT2A (0.46) KMT2AALDH1A1GLAMAPTMEN1
SCHEMBL2064796 0.91 CGAS (0.39) KMT2AALDH1A1GLAMAPTMEN1
SCHEMBL2065579 0.91 GSK3B (0.46) KMT2AALDH1A1GLAMAPTMEN1
SCHEMBL2065165 0.90 TSHR (0.42) KMT2AALDH1A1MAPTMEN1TSHR
SCHEMBL2066082 0.89 CRBN (0.47) KMT2AALDH1A1MEN1GSK3B
SCHEMBL2065921 0.89 F10 (0.45) ALDH1A1HCRTR1CGAS
SCHEMBL2066338 0.89 KCNMA1 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL2065434 0.89 GSK3B (0.45) KMT2AMEN1TSHRLMNAHCRTR1
SCHEMBL2065553 0.89 KMT2A (0.43) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL4952879 0.89 MEN1 (0.47) KMT2AALDH1A1MEN1KDM4ECGAS

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 1782/4885ALDH1A1 1204/4885GLA 671/4885

“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.