SCHEMBL825937

SCHEMBL825937

O=C(NCc1ccc(F)cc1)c1nc2ccc(N3CCCCC3)cn2c(=O)c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.47
CALCA P06881 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KCNE1 P15382 1/20 0.42
CCR1 P32246 1/20 0.42
KCNQ1 P51787 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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 0.90 CYP2C9 (0.54) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL823395 0.90 CYP2C9 (0.51) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL823587 0.86 CALCA (0.61) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL826269 0.86 CYP2C9 (0.49) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL823339 0.85 WDR5 (0.47) CYP2C9CYP3A4CYP2C19
SCHEMBL823642 0.85 CALCA (0.57) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL826148 0.84 SMN1; SMN2 (0.54) CYP2C9CYP3A4CYP2C19KCNH2SMN1; SMN2
SCHEMBL823326 0.82 SMN1; SMN2 (0.47) CYP2C9CYP3A4CYP2C19KCNH2CALCA
SCHEMBL823370 0.82 KCNE1 (0.49) CYP2C9KCNH2SMN1; SMN2LMNAALDH1A1
SCHEMBL823513 0.82 ERCC1 (0.48) CYP2C9CYP3A4CYP2C19KCNH2CALCA

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 CYP2C9 70/4885CYP3A4 128/4885CYP2C19 15/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CYP2C9 70/4885CYP3A4 128/4885CYP2C19 15/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CYP2C9 70/4885CYP3A4 128/4885CYP2C19 15/4885

“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.