SCHEMBL12880527

SCHEMBL12880527

CN(C)C(=O)c1cc(F)ccc1Cc1cnc(-c2nc3ccc(N4CCOCC4)cn3c(=O)c2O)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ENPP2 Q13822 4/20 0.37
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
GRIA2 P42262 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
STAT6 P42226 2/20 0.35
PIK3CA P42336 3/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CG P48736 1/20 0.34
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL12880526 0.93 JAK2 (0.39) JAK2JAK1TYK2JAK3ENPP2
SCHEMBL12894068 0.91 JAK2 (0.38) JAK2JAK1TYK2JAK3CSNK1D
SCHEMBL12880534 0.89 ENPP2 (0.38) ENPP2CSNK1DCSNK1EGRIA2GRIN1
SCHEMBL12880537 0.89 ALDH1A1 (0.35) JAK2JAK1TYK2JAK3GRIA2
SCHEMBL12880536 0.89 KMT2A (0.38) ENPP2CSNK1DCSNK1ESTAT6PIK3CA
SCHEMBL12880541 0.88 ENPP2 (0.35) JAK2JAK1TYK2JAK3ENPP2
SCHEMBL12880530 0.86 ENPP2 (0.36) ENPP2CSNK1DCSNK1EGRIA2GRIN1
SCHEMBL12880542 0.85 IDO1 (0.37) ENPP2CSNK1DCSNK1EPIK3CAPIK3CB
SCHEMBL12880529 0.85 PIK3CA (0.37) ENPP2CSNK1DCSNK1EGRIA2GRIN1
SCHEMBL14749134 0.85 CSNK1D (0.33) ENPP2CSNK1DCSNK1EGRIA2GRIN1

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 JAK2 2211/4885JAK1 782/4885TYK2 4220/4885
US-20130059865-A1 COMPOUNDS HAVING ANTIVIRAL PROPERTIES ZC3HAV1, ACE, EIF2AK2 JAK2 2211/4885JAK1 782/4885TYK2 4220/4885

“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.