SCHEMBL823449

SCHEMBL823449

O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2sc(CN3CCCC3)cn2c(=O)c1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
METTL3 Q86U44 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
WDR5 P61964 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
MLLT1 Q03111 2/20 0.39
CXCR3 P49682 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
KCNH2 Q12809 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
SCHEMBL823522 0.99 ALDH1A1 (0.44) HRH3ALDH1A1METTL3SMN1; SMN2WDR5
Hydrochloric Acid SCHEMBL826415 0.99 HRH3 (0.42) HRH3ALDH1A1METTL3SMN1; SMN2WDR5
SCHEMBL823442 0.94 KCNH2 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AMLLT1
SCHEMBL823515 0.93 KCNH2 (0.41) CXCR3HPGDCNR1CNR2KCNH2
SCHEMBL823507 0.92 CHRM3 (0.41) ALDH1A1CXCR3MEN1KMT2AHPGD
SCHEMBL823525 0.89 ENPP2 (0.42) CXCR3HPGDCNR1CNR2KCNH2
SCHEMBL823478 0.89 METTL3 (0.44) ALDH1A1METTL3SMN1; SMN2MEN1KMT2A
SCHEMBL823460 0.86 VEGFA (0.43) HRH3METTL3SMN1; SMN2MEN1KMT2A
SCHEMBL823453 0.86 CHRM3 (0.43)
SCHEMBL12956593 0.85 HPGD (0.43) ALDH1A1MEN1KMT2AHPGDCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (1 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 HRH3 1532/4885ALDH1A1 337/4885METTL3 1550/4885

“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.