Sugi Predict

Sugi Predict / Compounds / SCHEMBL367904

SCHEMBL367904

SCHEMBL367904

CC1COCCN1c1cc(N2CCNCC2=O)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PIK3C3 Q8NEB9 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ KCNE1 P15382 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ KCNQ1 P51787 1/20 0.35
▸ ERCC1 P07992 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ ERCC4 Q92889 1/20 0.34
▸ MTOR P42345 2/20 0.34
▸ GABRA1 P14867 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ NUDT1 P36639 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL368726 0.88 PSMD14 (0.40) KCNH2CYP2C9CNR2KCNE1CCR1
SCHEMBL368368 0.85 ERCC1 (0.39) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL368488 0.84 CYP2C9 (0.41) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL368702 0.84 CYP2C9 (0.39) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL368920 0.84 CYP2C9 (0.41) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL367927 0.81 CYP2C9 (0.43) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL10070081 0.79 — —
SCHEMBL10070409 0.79 CNR2 (0.37) PIK3C3CNR2MTORGABRA1HTR1A
SCHEMBL368029 0.79 KCNH2 (0.43) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL367914 0.78 PSMD14 (0.41) KCNH2CYP2C9CNR2KCNE1CCR1

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 KCNH2 4307/4885CYP2C9 2213/4885PIK3C3 2293/4885

“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.