SCHEMBL823478

SCHEMBL823478

O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2sc(CN3CCN(c4ccccc4)CC3)cn2c(=O)c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.44
CACNA1G O43497 1/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTR7 P34969 2/20 0.41
ENPP2 Q13822 5/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EPHX2 P34913 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 1/20 0.39
FLT3 P36888 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL823442 0.90 KCNH2 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL823515 0.89 KCNH2 (0.41) ENPP2CNR1CNR2
SCHEMBL823449 0.89 HRH3 (0.43) METTL3KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL823522 0.88 ALDH1A1 (0.44) METTL3KMT2ASMN1; SMN2CNR1CNR2
Hydrochloric Acid SCHEMBL826415 0.88 HRH3 (0.42) METTL3KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL823461 0.87 DRD2 (0.49) KMT2AHTR7LMNA
SCHEMBL823507 0.87 CHRM3 (0.41) KMT2ACNR1CNR2MEN1ALDH1A1
SCHEMBL823525 0.86 ENPP2 (0.42) ENPP2CNR1CNR2
SCHEMBL823460 0.83 VEGFA (0.43) METTL3KMT2ASMN1; SMN2ENPP2EPHX2
SCHEMBL823453 0.81 CHRM3 (0.43)

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-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
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 METTL3 1550/4885CACNA1G 2728/4885KMT2A 2241/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD METTL3 1550/4885CACNA1G 2728/4885KMT2A 2241/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD METTL3 1550/4885CACNA1G 2728/4885KMT2A 2241/4885

“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.