SCHEMBL368771

SCHEMBL368771

COC(=O)c1nc2c(N3CCN(C)C3=O)cc(N3CCN(C(C)C)CC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
VCP P55072 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PTGDR Q13258 1/20 0.33
ALK Q9UM73 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL369345 0.90 MRGPRX4 (0.43) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL371044 0.88 MAPK1 (0.39) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL10070441 0.88 TLR7 (0.33)
SCHEMBL1222284 0.85 LMNA (0.38) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL369238 0.84 LMNA (0.39) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL10070440 0.83 CDK4 (0.32) ALDH1A1HRH3MAPT
SCHEMBL15097422 0.83 MAPK1 (0.41) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL2817380 0.82 ALKBH1 (0.38) LMNAHPGDKMT2AMEN1MAPK1
SCHEMBL15092114 0.82 ESR1 (0.37) LMNAHPGDKMT2ATSHRHRH3
SCHEMBL15097285 0.81 MAPK1 (0.37) LMNAHPGDKMT2AMEN1MAPK1

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 4 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

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 LMNA 4293/4885HPGD 2087/4885KMT2A 3777/4885

“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.