SCHEMBL13824203

SCHEMBL13824203

O=C(Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccn2)nc(O)c1O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNK3 O14649 1/20 0.50
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
CES1 P23141 1/20 0.49
IKBKB O14920 1/20 0.49
P2RX1 P51575 1/20 0.49
LMNA P02545 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
BRAF P15056 1/20 0.48
AURKA O14965 1/20 0.48
RXFP1 Q9HBX9 3/20 0.47
CHUK O15111 1/20 0.47

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
SCHEMBL13824033 0.92 P2RX1 (0.53) IKBKBP2RX1TRPV1
SCHEMBL13824141 0.90 TRPV1 (0.48) MAPTKCNK3POLBAPEX1CES1
SCHEMBL15600754 0.85 TRPV1 (0.44) CES1P2RX1TRPV1
SCHEMBL13824032 0.85 CA12 (0.52) MAPTMEN1KMT2AKCNK3KDM4E
SCHEMBL13824299 0.84 ADORA3 (0.51) KCNK3TRPV1KDM4E
SCHEMBL13824304 0.84 MEN1 (0.50) MAPTMEN1TSHRKMT2AKCNK3
SCHEMBL13824117 0.83 MLYCD (0.53) MEN1KMT2ALMNA
SCHEMBL15522586 0.82 RAB9A (0.54) MAPTMEN1TSHRKMT2APOLB
SCHEMBL13824302 0.81 PLAU (0.47) MAPTMEN1KMT2AKCNK3POLB
SCHEMBL13824171 0.81 LMNA (0.56) MAPTMEN1KMT2AKCNK3POLB

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 MAPT 3619/4885MEN1 1902/4885TSHR 2883/4885

“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.