SCHEMBL13823958

SCHEMBL13823958

O=C(NCc1ccncc1)c1nc(-c2cccc(C(F)(F)F)c2)nc(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ELANE P08246 1/20 0.49
SORT1 Q99523 1/20 0.49
EPHB4 P54760 1/20 0.47
MLYCD O95822 1/20 0.47
VNN1 O95497 1/20 0.46
KDR P35968 4/20 0.46
BACE1 P56817 1/20 0.45
MMP13 P45452 1/20 0.45
NAMPT P43490 1/20 0.44
ROCK2 O75116 1/20 0.44
GRK2 P25098 1/20 0.44
FLT1 P17948 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
FLT4 P35916 1/20 0.44

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
SCHEMBL13823966 0.92 PTGER4 (0.52) MLYCDVNN1BACE1PTGER4
SCHEMBL13824037 0.84 GAA (0.51) GSK3BSMN1; SMN2VNN1MMP13NAMPT
SCHEMBL13823937 0.83 POLB (0.63) SMN1; SMN2MLYCD
SCHEMBL13823945 0.80 CASP6 (0.45) SMN1; SMN2NAMPT
SCHEMBL13728314 0.79 SORT1 (0.45) GSK3BSMN1; SMN2ELANESORT1EPHB4
SCHEMBL13824117 0.78 MLYCD (0.53) EPHB4MLYCDPTGER4
SCHEMBL5116918 0.78 NPC1 (0.57) SMN1; SMN2MLYCDPTGER4
SCHEMBL15600749 0.78 CFD (0.46) KDRFLT1EGFRFLT4
SCHEMBL31347370 0.78 MLYCD (0.57) MLYCDPTGER4
SCHEMBL13824171 0.78 LMNA (0.56)

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 GSK3B 2651/4885SMN1; SMN2 4098/4885ELANE 656/4885

“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.