SCHEMBL13823966

SCHEMBL13823966

O=C(NCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)nc(O)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.52
MLYCD O95822 1/20 0.51
CNR2 P34972 1/20 0.49
MAPK14 Q16539 1/20 0.49
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PLA2G1B P04054 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
BACE1 P56817 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL13823958 0.92 GSK3B (0.51) PTGER4MLYCDBACE1VNN1
SCHEMBL15600749 0.86 CFD (0.46) HDAC6
SCHEMBL5113449 0.85 HPGDS (0.56) HDAC4HDAC6
SCHEMBL13823937 0.85 POLB (0.63) MLYCDLMNARAB9AMAPTMEN1
SCHEMBL15592675 0.84 MLYCD (0.55) PTGER4MLYCDCNR2MAPK14LMNA
SCHEMBL5113709 0.84 TSHR (0.54) MAPK14LMNAMAPTKMT2ACYP1A2
SCHEMBL13824171 0.84 LMNA (0.56) LMNARAB9AMAPTMEN1KMT2A
SCHEMBL13824117 0.82 MLYCD (0.53) PTGER4MLYCDMAPK14LMNARAB9A
SCHEMBL31347370 0.81 MLYCD (0.57) PTGER4MLYCDCNR2MAPK14LMNA
SCHEMBL13823945 0.81 CASP6 (0.45) CNR2RAB9AMEN1KMT2ACYP1A2

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 5 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

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 PTGER4 1587/4885MLYCD 4055/4885CNR2 3653/4885

“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.