SCHEMBL369345

SCHEMBL369345

COC(=O)c1nc2c(N3CCN(C)C3=O)cc(N3CCOCC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CASP1 P29466 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 3/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2817380 0.93 ALKBH1 (0.38) MRGPRX4ALDH1A1KDM4EMAPK1MEN1
SCHEMBL1221824 0.92 MRGPRX4 (0.36) MRGPRX4PIK3CBALDH1A1KDM4EMAPK1
SCHEMBL1222151 0.90 GAA (0.36) MRGPRX4ALDH1A1KDM4EMAPK1MEN1
SCHEMBL368141 0.90 MRGPRX4 (0.42) MRGPRX4PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL368771 0.90 LMNA (0.35) MRGPRX4ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1221123 0.89 MRGPRX4 (0.43) MRGPRX4PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL1221006 0.88 HSD17B10 (0.35) MRGPRX4ALDH1A1KDM4EMAPK1MEN1
SCHEMBL1222306 0.88 MRGPRX4 (0.43) MRGPRX4PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL10070077 0.88 KDM4E (0.37) MRGPRX4PIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL367770 0.86 MRGPRX4 (0.45) MRGPRX4PIK3CAPIK3CBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
EP-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-8563562-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2013-10-22 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2013-03-07 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
US-8318732-B2 Compounds having antiviral properties AVEXA LIMITED (AU) 2012-11-27 US disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
US-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2011-02-17 US disclosed
EP-2212324-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES Avexa Limited (AU) 2010-08-04 EP disclosed
WO-2010000032-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LIMITED (AU) 2010-01-07 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-20110039842-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 MRGPRX4 1093/4885PIK3CA 1718/4885PIK3CB 2323/4885
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 MRGPRX4 313/4885PIK3CA 1532/4885PIK3CB 1445/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 MRGPRX4 1093/4885PIK3CA 1718/4885PIK3CB 2323/4885

“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.