SCHEMBL823587

SCHEMBL823587

O=C(NCc1ccc(F)cc1)c1nc2ccc(N3CCCCS3(=O)=O)cn2c(=O)c1O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCA P06881 9/20 0.61
CYP2C9 P11712 2/20 0.45
KCNH2 Q12809 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.40
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.39
KCNE1 P15382 1/20 0.39
CCR1 P32246 1/20 0.39
KCNQ1 P51787 1/20 0.39

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
SCHEMBL823642 0.97 CALCA (0.57) CALCACYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL823583 0.87 CALCA (0.49) CALCASMN1; SMN2
SCHEMBL825937 0.86 CYP2C9 (0.51) CALCACYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL823643 0.84 CALCA (0.46) CALCACDK1CDK4CDK2SMN1; SMN2
SCHEMBL826251 0.84 CYP2C9 (0.54) CALCACYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL823510 0.83 CALCA (0.50) CALCACYP2C9CYP3A4CYP2C19LMNA
Bms-707035 SCHEMBL6095261 0.81 CALCA (0.63) CALCACYP2C9KCNH2SMN1; SMN2KCNE1
SCHEMBL823395 0.81 CYP2C9 (0.51) CALCACYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL826269 0.81 CYP2C9 (0.49) CALCACYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL10070421 0.78 CALCA (0.49) CALCACYP2C9KCNH2CYP3A4CYP2C19

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
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-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-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 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
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 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 (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 CALCA 2032/4885CYP2C9 70/4885KCNH2 2546/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD CALCA 2032/4885CYP2C9 70/4885KCNH2 2546/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD CALCA 2032/4885CYP2C9 70/4885KCNH2 2546/4885

“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.