Sugi Predict

Sugi Predict / Compounds / SCHEMBL360076

SCHEMBL360076

SCHEMBL360076

CN(C)c1cc(N2CCOC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TTK P33981 1/20 0.40
▸ KCNE1 P15382 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CALCA P06881 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL367848 0.96 KCNH2 (0.45) CYP2C9KCNH2TTKKCNE1CCR1
SCHEMBL10070927 0.87 TP53 (0.39) CYP2C9KCNH2TTKSMN1; SMN2CNR2
SCHEMBL369169 0.87 ACE2 (0.41) CYP2C9KCNH2TTKKCNE1CCR1
SCHEMBL367198 0.86 KCNH2 (0.44) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL368792 0.86 LMNA (0.38) TTKSMN1; SMN2CNR2KMT2AALDH1A1
SCHEMBL367823 0.85 TTK (0.39) CYP2C9KCNH2TTKKCNE1CCR1
SCHEMBL367927 0.85 CYP2C9 (0.43) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL10070430 0.84 TP53 (0.39) CYP2C9KCNH2TTKSMN1; SMN2CNR2
SCHEMBL370304 0.83 ACE2 (0.40) CYP2C9KCNH2TTKKCNE1CCR1
SCHEMBL369231 0.83 LMNA (0.38) CYP2C9KCNH2TTKSMN1; SMN2CNR2

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 CYP2C9 2213/4885KCNH2 4307/4885TTK 4162/4885

“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.