SCHEMBL1222152

SCHEMBL1222152

CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(-c4ncc(Cc5ccc(F)c(F)c5)[nH]4)nc23)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.33
ALDH1A1 P00352 7/20 0.32
CYP1A2 P05177 6/20 0.32
HSD17B10 Q99714 6/20 0.32
CYP2C19 P33261 5/20 0.32
USP2 O75604 4/20 0.32
CASP1 P29466 3/20 0.32
CASP7 P55210 3/20 0.32
HIF1A Q16665 3/20 0.32
P2RX7 Q99572 2/20 0.32
CYP3A4 P08684 2/20 0.32
BRD4 O60885 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
PRKDC P78527 1/20 0.32
PARP1 P09874 1/20 0.32
PIK3CA P42336 3/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL1221133 0.96 P2RX7 (0.33) PIK3CGALDH1A1CYP1A2HSD17B10CYP2C19
SCHEMBL12894430 0.91 TLR7 (0.33) ALDH1A1P2RX7PARP1MEN1KMT2A
SCHEMBL12881000 0.88 PARP1 (0.35) CYP1A2CYP2C19P2RX7CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1222254 0.88 PARP1 (0.34) CYP1A2CYP2C19P2RX7CYP3A4CYP2C9
SCHEMBL12894427 0.87 P2RX7 (0.34) ALDH1A1P2RX7PARP1PIK3CAMEN1
SCHEMBL12880992 0.84 P2RX7 (0.35) PIK3CGALDH1A1CYP1A2HSD17B10CYP2C19
SCHEMBL15334698 0.84 PARP1 (0.34) P2RX7PRKDCPARP1
SCHEMBL1222501 0.84 USP2 (0.35) PIK3CGALDH1A1CYP1A2HSD17B10CYP2C19
Hydrochloric Acid SCHEMBL1222280 0.84 P2RX7 (0.34) PIK3CGALDH1A1CYP1A2HSD17B10CYP2C19
SCHEMBL13512868 0.84 PARP1 (0.35) PIK3CGCYP1A2CYP2C19P2RX7CYP3A4

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 8 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-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-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 (2 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 PIK3CG 2514/4885ALDH1A1 702/4885CYP1A2 680/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 PIK3CG 2514/4885ALDH1A1 702/4885CYP1A2 680/4885

“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.