SCHEMBL359819

SCHEMBL359819

CCOC(=O)Nc1cc(N2CCOCC2)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 3/20 0.45
GAA P10253 5/20 0.44
LMNA P02545 3/20 0.44
MC4R P32245 2/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTK2B Q14289 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIK3CA P42336 1/20 0.43
LGMN Q99538 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL360215 0.83 POLB (0.47) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL20654767 0.77 KDM4E (0.50) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL359818 0.75 JAK2 (0.48) MAPTSMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL1585857 0.74 CYP1A2 (0.48) SMN1; SMN2MAPK1GAANPSR1ALDH1A1
SCHEMBL823596 0.74 CYP1A2 (0.48) SMN1; SMN2MAPK1MEN1KMT2AALDH1A1
SCHEMBL28032896 0.73 LMNA (0.65) SMN1; SMN2LMNATDP1L3MBTL1MEN1
SCHEMBL27214416 0.72 PIK3CA (0.59) MAPTSMN1; SMN2MAPK1GAALMNA
SCHEMBL18395649 0.71 L3MBTL1 (0.52) MAPTSMN1; SMN2MAPK1GAALMNA
SCHEMBL18394713 0.71 PIK3CA (0.54) MAPTSMN1; SMN2MAPK1GAALMNA
SCHEMBL21500105 0.70 RAF1 (0.44) MAPTGAALMNAMEN1KMT2A

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 5 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
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 MAPT 4213/4885SMN1; SMN2 2192/4885NPC1 116/4885

“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.