SCHEMBL13823965

SCHEMBL13823965

Cc1cccc(Cc2nc(O)c(O)c(C(=O)c3ccccc3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.45
VNN1 O95497 1/20 0.44
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 2/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HTR6 P50406 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38

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
SCHEMBL13728919 0.87 CATSPER1 (0.41) EGLN1VNN1MAPTALDH1A1KMT2A
SCHEMBL13824122 0.87 VNN1 (0.44) VNN1POLBCNR2MAPTHTT
SCHEMBL15592673 0.86 EGLN1 (0.41) EGLN1VNN1RAB9ANPC1POLB
SCHEMBL13824308 0.82 EGLN1 (0.42) EGLN1RAB9ANPC1POLBMAPT
SCHEMBL13824043 0.82 IDO1 (0.42) EGLN1RAB9ANPC1CNR2SMN1; SMN2
SCHEMBL13729637 0.81 HTR6 (0.49) EGLN1HTR6MEN1KMT2A
SCHEMBL13823963 0.78 ACHE (0.45) VNN1RAB9ANPC1POLBSMN1; SMN2
SCHEMBL13824213 0.75 P2RX3 (0.45) HTR6
SCHEMBL13728150 0.74 KMT2A (0.43) EGLN1RAB9ANPC1MAPTGPR52
SCHEMBL10077157 0.74 RNASEH1 (0.54) EGLN1SMN1; SMN2MAPTALDH1A1

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 7 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-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
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

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 EGLN1 1229/4885VNN1 117/4885RAB9A 3240/4885

“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.