SCHEMBL826148

SCHEMBL826148

CC(C)(C)OC(=O)N1CCN(c2ccc3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
CYP2C19 P33261 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ENPP2 Q13822 2/20 0.49
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 3/20 0.47
KCNH2 Q12809 1/20 0.43
KIT P10721 1/20 0.42
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
ALOX5 P09917 1/20 0.41
NAMPT P43490 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
SCHEMBL826251 0.86 CYP2C9 (0.54) SMN1; SMN2CYP2C19MEN1KMT2ALMNA
SCHEMBL825937 0.84 CYP2C9 (0.51) SMN1; SMN2CYP2C19LMNACYP2C9CYP3A4
SCHEMBL823395 0.82 CYP2C9 (0.51) SMN1; SMN2CYP2C19KMT2AHTTCYP2C9
SCHEMBL15101666 0.80 ENPP2 (0.42) SMN1; SMN2CYP2C19MEN1KMT2AHTT
SCHEMBL26681993 0.79 SMN1; SMN2 (0.82) SMN1; SMN2CYP2C19MEN1KMT2AHTT
SCHEMBL368264 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19MEN1KMT2AHTT
SCHEMBL823370 0.77 KCNE1 (0.49) SMN1; SMN2MEN1KMT2ALMNAMAPT
SCHEMBL1150794 0.76 KCNE1 (0.49) SMN1; SMN2CYP2C19MEN1KMT2AHTT
SCHEMBL823642 0.76 CALCA (0.57) SMN1; SMN2CYP2C19LMNACYP2C9CYP3A4
SCHEMBL823587 0.75 CALCA (0.61) SMN1; SMN2CYP2C19LMNACYP2C9CYP3A4

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-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US 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 (3 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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD SMN1; SMN2 1064/4885CYP2C19 15/4885MEN1 1774/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD SMN1; SMN2 1064/4885CYP2C19 15/4885MEN1 1774/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD SMN1; SMN2 1064/4885CYP2C19 15/4885MEN1 1774/4885

“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.