SCHEMBL2013398

SCHEMBL2013398

COc1ccc(Cn2c(=O)c(-c3ccccc3)cc3c(C)nc(S(C)(=O)=O)nc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 4/20 0.46
ALDH1A1 P00352 5/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR7 Q9NYK1 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
MAPK8 P45983 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SDHB P21912 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1984824 0.89 SMN1; SMN2 (0.50) SMN1; SMN2EGLN1ALDH1A1MEN1RECQL
SCHEMBL1985054 0.86 PIK3CA (0.52) BLMSMN1; SMN2EGLN1
SCHEMBL1986657 0.84 SMN1; SMN2 (0.46) BLMSMN1; SMN2EGLN1ALDH1A1GAA
SCHEMBL4231600 0.82 ADORA1 (0.46) EGLN1ALDH1A1GAATLR7KDM4E
SCHEMBL13439818 0.75 PIK3CA (0.53) SMN1; SMN2EGLN1ALDH1A1MEN1KMT2A
SCHEMBL19499673 0.74 FGFR1 (0.45) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL1984787 0.74 PIK3CA (0.53) SMN1; SMN2EGLN1ALDH1A1KDM4EHPGD
SCHEMBL14234457 0.73 ALDH1A1 (0.46) SMN1; SMN2EGLN1ALDH1A1MEN1RECQL
SCHEMBL3325418 0.73 ALDH1A1 (0.50) SMN1; SMN2EGLN1ALDH1A1MEN1RECQL
SCHEMBL30893415 0.71 BRD4 (0.45) SMN1; SMN2ALDH1A1KMT2ATLR7KDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
US-8633204-B2 4-methylpyridopyrimidinone compounds PFIZER INC. (US) 2014-01-21 US disclosed
EP-2074122-B9 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2013-09-11 EP disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC (US) 2012-12-06 US disclosed
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 US disclosed
EP-2074122-B1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PROD INC (US) 2011-06-29 EP disclosed
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-7696213-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2010-04-13 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
WO-2008032162-A1 PYRIDO (2, 3-D) PYRIMIDIN0NE COMPOUNDS AND THEIR USE AS PI3 INHIBITORS PFIZER PRODUCTS INC. (US) 2008-03-20 WO 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 (3 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-20080090801-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA BLM 3864/4885SMN1; SMN2 2875/4885EGLN1 2992/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA BLM 3864/4885SMN1; SMN2 2875/4885EGLN1 2992/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA BLM 3864/4885SMN1; SMN2 2875/4885EGLN1 2992/4885

“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.