SCHEMBL13729985

SCHEMBL13729985

COc1ccc(CNC(=O)c2nc(-c3ccccn3)nc(O)c2O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.50
NOD2 Q9HC29 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
RECQL P46063 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
ADORA2A P29274 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL13824294 0.87 EGLN1 (0.54) KMT2AMEN1SMN1; SMN2LMNAADORA2A
SCHEMBL5128874 0.85 ADORA2A (0.55) KMT2AMEN1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5125113 0.83 HPGDS (0.62) KMT2AMEN1ALDH1A1ADORA3
SCHEMBL13728338 0.83 TAOK1 (0.49) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL13726850 0.83 TAS1R3 (0.51) KMT2AMEN1NPSR1SMN1; SMN2LMNA
SCHEMBL5127727 0.82 ATM (0.49) KMT2AMEN1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5115263 0.82 KDM4E (0.50) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL5123516 0.82 ADORA2A (0.54) SMN1; SMN2L3MBTL1LMNAPOLBHSD17B10
SCHEMBL5116652 0.81 GLA (0.58) KMT2AL3MBTL1
SCHEMBL5129242 0.81 HPGDS (0.51) KMT2AMEN1L3MBTL1ALDH1A1

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-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-9328075-B2 Pyrimidinone compounds and methods for treating influenza ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2016-05-03 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
US-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2014-03-20 US disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 WO disclosed
WO-2012151567-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2012-11-08 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 (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-20140079666-A1 PYRIMIDINONE COMPOUNDS AND METHODS FOR PREVENTING AND TREATING INFLUENZA ADA, TYMP, ITPA KMT2A 2664/4885MEN1 1902/4885NPSR1 599/4885

“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.