SCHEMBL359690

SCHEMBL359690

Nc1ncc(N2CCOCC2)cc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.56
DHFR P00374 1/20 0.52
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
FYN P06241 2/20 0.44
ADK P55263 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
PIK3R1 P27986 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL12991818 0.84 LGMN (0.49) LGMNDHFRGAAKDM4EFYN
SCHEMBL30805608 0.84 LGMN (0.47) LGMNDHFRGAAFYNADK
SCHEMBL26345140 0.81 PIK3CA (0.49) LGMNDHFRGAAKDM4EADK
SCHEMBL27214416 0.81 PIK3CA (0.59) LGMNDHFRGAAKDM4EFYN
SCHEMBL15616587 0.81 GAA (0.46) LGMNDHFRGAAKDM4EADK
SCHEMBL823504 0.81 DHFR (0.45) LGMNDHFRGAAKDM4EFYN
SCHEMBL16680612 0.81 DHFR (0.45) LGMNDHFRGAAKDM4EFYN
SCHEMBL30366380 0.81 GAA (0.46) LGMNDHFRGAAKDM4EADK
SCHEMBL10070419 0.79 ATR (0.42) LGMNDHFRGAAKDM4EFYN
SCHEMBL29949198 0.77 DHFR (0.40) LGMNDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 LGMN 2011/4885DHFR 1948/4885GAA 132/4885

“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.