SCHEMBL12880548

SCHEMBL12880548

CN(C)Cc1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 4/20 0.33
CASP1 P29466 3/20 0.33
CASP7 P55210 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GLA P06280 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
P2RX7 Q99572 3/20 0.33
DPP4 P27487 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK14 Q16539 1/20 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
SCHEMBL12880551 0.90 LMNA (0.36) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880537 0.90 ALDH1A1 (0.35) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880540 0.89 ALDH1A1 (0.33) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880534 0.88 ENPP2 (0.38) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880555 0.88 IDO1 (0.34) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880539 0.88 PIK3CA (0.34) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880556 0.88 GRIA2 (0.34) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL13512865 0.87 MEN1 (0.35) GRIA2GRIN1GRIN2AALDH1A1SMN1; SMN2
SCHEMBL12894213 0.86 ALDH1A1 (0.35) GRIA2GRIN1GRIN2AALDH1A1CYP1A2
SCHEMBL12880544 0.86 GRIA2 (0.31) GRIA2GRIN1GRIN2ASMN1; SMN2MEN1

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-2212324-B1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES AVEXA LTD (AU) 2014-03-26 EP claimed
EP-2759544-A1 Compounds having antiviral properties Avexa Limited (AU) 2014-07-30 EP disclosed
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
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-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-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
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
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 GRIA2 4422/4885GRIN1 2111/4885GRIN2A 3730/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 GRIA2 4422/4885GRIN1 2111/4885GRIN2A 3730/4885

“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.