SCHEMBL823397

SCHEMBL823397

O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2c(N3CCOCC3)cccn2c(=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
PIK3CA P42336 3/20 0.45
GPR139 Q6DWJ6 1/20 0.41
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
GRIA1 P42261 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGES O14684 1/20 0.40
WDR5 P61964 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL10069926 0.88 LMNA (0.43) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL823392 0.88 TP53 (0.48) LMNAGAAPIK3CAGRIA1ALDH1A1
SCHEMBL827383 0.82 LMNA (0.44) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL823556 0.82 LMNA (0.44) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL6018490 0.82 LMNA (0.45) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL823584 0.82 LMNA (0.43) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL823571 0.82 ERCC1 (0.42) LMNAGAAMCOLN3CNR1CNR2
SCHEMBL823390 0.81 CNR1 (0.42) LMNACNR1CNR2MEN1KMT2A
SCHEMBL823382 0.81 ERCC1 (0.45) LMNACNR1CNR2MEN1KMT2A
SCHEMBL369054 0.80 LMNA (0.38) LMNAGAAMCOLN3CNR1CNR2

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 18 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-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 LMNA 2777/4885GAA 564/4885MCOLN3 4322/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD LMNA 2777/4885GAA 564/4885MCOLN3 4322/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD LMNA 2777/4885GAA 564/4885MCOLN3 4322/4885

“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.