SCHEMBL2019618

SCHEMBL2019618

COc1ccc(Cn2c(=O)c(Br)cc3c(C)nc(SC)nc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 6/20 0.43
PDE1A P54750 5/20 0.43
PDE1C Q14123 5/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PIK3CA P42336 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL3330739 0.88 KDM4E (0.45) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL13439764 0.87 PDE1B (0.43) PDE1BPDE1APDE1CALDH1A1HSD17B10
SCHEMBL1986657 0.84 SMN1; SMN2 (0.46) ALDH1A1KDM4EGAAHPGDHTT
SCHEMBL31532042 0.82 PDE1B (0.43) PDE1BPDE1APDE1CALDH1A1HSD17B10
SCHEMBL24096380 0.79 PDE1A (0.45) PDE1BPDE1APDE1CALDH1A1KDM4E
SCHEMBL1899094 0.79 KDM4E (0.63) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL5116317 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL5127289 0.73 HSD17B10 (0.41) PDE1BPDE1APDE1CALDH1A1HSD17B10
SCHEMBL5127282 0.73 P2RX3 (0.46) PDE1BPDE1APDE1CALDH1A1HSD17B10
SCHEMBL14234457 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTTSHR

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 18 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
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
US-8273755-B2 4-methylpyridopyrimidinone compounds PFIZER INC (US) 2012-09-25 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-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PFIZER INC. (US) 2010-06-03 US 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 PDE1B 1196/4885PDE1A 1035/4885PDE1C 1273/4885
US-20120309775-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PDE1B 1196/4885PDE1A 1035/4885PDE1C 1273/4885
US-20100137279-A1 4-METHYLPYRIDOPYRIMIDINONE COMPOUNDS PI4KA, PI4KB, PIK3CA PDE1B 1196/4885PDE1A 1035/4885PDE1C 1273/4885

“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.