SCHEMBL13823925

SCHEMBL13823925

COC(=O)c1nc(-c2ccccn2)n(C)c(=O)c1OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
PAX8 Q06710 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CTSD P07339 2/20 0.38
APAF1 O14727 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
SCHEMBL13824026 0.82 ADORA2A (0.45) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL4026627 0.81 ERCC1 (0.56) NPC1RAB9AALDH1A1CASP1SMN1; SMN2
SCHEMBL4026191 0.80 ADORA2A (0.40) NPC1RAB9AGABRG2GABRB3GABRA3
SCHEMBL6690248 0.79 ADORA2A (0.40) NPC1RAB9AGABRG2GABRB3GABRA3
SCHEMBL13041236 0.76 KMT2A (0.40) NPC1RAB9AGABRG2GABRB3GABRA3
SCHEMBL6690246 0.75 ERCC1 (0.42) NPC1RAB9AGABRG2GABRB3GABRA3
SCHEMBL1150623 0.75 TSHR (0.38) NPC1RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL1150680 0.73 TAAR1 (0.44) ALDH1A1TSHRKMT2AKDM4EPKM
SCHEMBL1150520 0.72 TAAR1 (0.41) ALDH1A1TSHRKMT2APKMLMNA
SCHEMBL6017629 0.71 LMNA (0.48) NPC1RAB9AGABRG2GABRB3GABRA3

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 NPC1 2298/4885RAB9A 3240/4885PAX8 1734/4885

“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.