SCHEMBL13728150

SCHEMBL13728150

Cc1cccc(CC(=O)c2nc(Cc3cccc(C(F)(F)F)c3)nc(O)c2O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
GPR52 Q9Y2T5 6/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
DDT P30046 1/20 0.38
FFAR2 O15552 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL13824308 0.90 EGLN1 (0.42) KMT2AMEN1MAPTEGLN1NPC1
SCHEMBL13727700 0.84 CYP3A4 (0.38) KMT2AMEN1GPR52MAPTTP53
SCHEMBL13823947 0.80 NPC1 (0.43) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL13731334 0.79 HTR2C (0.47)
SCHEMBL13729637 0.75 HTR6 (0.49) KMT2AMEN1TP53EGLN1
SCHEMBL13823964 0.75 RORB (0.47) KMT2AMEN1GPR52NPC1
SCHEMBL13728657 0.74 ADORA2A (0.40) KMT2AMEN1GPR52MAPTNPC1
SCHEMBL15592673 0.73 EGLN1 (0.41) KMT2AMEN1EGLN1NPC1RAB9A
SCHEMBL13824043 0.69 IDO1 (0.42) KMT2AMEN1MAPTTP53EGLN1
SCHEMBL13824122 0.69 VNN1 (0.44) KMT2AMEN1MAPTTP53

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 8 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
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 1902/4885GPR52 2841/4885

“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.