SCHEMBL12880537

SCHEMBL12880537

CN(C)C(=O)c1cc(F)ccc1Cc1cnc(-c2nc3c(Br)cc(N4CCOCC4)cn3c(=O)c2O)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
PIK3CB P42338 9/20 0.34
PIK3CD O00329 5/20 0.34
PIK3CA P42336 5/20 0.34
PIK3CG P48736 5/20 0.34
DPP4 P27487 1/20 0.33
CYP1A2 P05177 2/20 0.32
GLA P06280 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
SCHEMBL12880543 0.92 JAK2 (0.34) JAK2JAK1TYK2JAK3GRIA2
SCHEMBL13512865 0.91 MEN1 (0.35) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880548 0.90 GRIA2 (0.37) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880546 0.89 MEN1 (0.40) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880527 0.89 JAK2 (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880556 0.89 GRIA2 (0.34) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880540 0.87 ALDH1A1 (0.33) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880555 0.86 IDO1 (0.34) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12880539 0.86 PIK3CA (0.34) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL14749179 0.86 MEN1 (0.33) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2

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 ALDH1A1 702/4885MEN1 1800/4885MAPT 3349/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 ALDH1A1 702/4885MEN1 1800/4885MAPT 3349/4885

“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.