SCHEMBL13823931

SCHEMBL13823931

O=C(NC1CCC1)c1nc(-c2ccccn2)nc(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
GRM5 P41594 9/20 0.48
GAA P10253 1/20 0.43
HIF1A Q16665 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL13824190 0.98 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2LMNAGRM5
SCHEMBL13824116 0.96 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2LMNAGRM5
SCHEMBL19921344 0.91 GRM5 (0.48) KDM4EALDH1A1SMN1; SMN2LMNAGRM5
SCHEMBL13728247 0.91 RAB9A (0.46) KDM4EALDH1A1SMN1; SMN2LMNAGRM5
SCHEMBL19921313 0.88 CD38 (0.41) KDM4EALDH1A1SMN1; SMN2LMNAGRM5
SCHEMBL13729216 0.84 TAS1R3 (0.47) ALDH1A1
SCHEMBL19921369 0.83 ADORA2A (0.45) ALDH1A1SMN1; SMN2GAAADORA2A
SCHEMBL19921427 0.82 BMP1 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL19921354 0.81 HIF1A (0.45) KDM4EALDH1A1SMN1; SMN2LMNAHIF1A
SCHEMBL15522335 0.81 HTT (0.57) KDM4EALDH1A1LMNA

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 KDM4E 2486/4885ALDH1A1 1277/4885SMN1; SMN2 4098/4885

“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.