Sugi Predict

Sugi Predict / Compounds / SCHEMBL368069

SCHEMBL368069

SCHEMBL368069

CC(C)N1CCN(c2cc(N3CCN(C)CC3)cn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc23)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.38
▸ KCNE1 P15382 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TTK P33981 1/20 0.37
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CALCA P06881 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL368996 0.88 CYP2C9 (0.39) KCNH2CYP2C9CYP3A4CYP2C19KCNE1
SCHEMBL10070433 0.88 TP53 (0.37) CYP2C9CYP3A4CYP2C19ACE2SMN1; SMN2
SCHEMBL369035 0.87 SCD (0.38) SMN1; SMN2KMT2ASCDGAANPSR1
SCHEMBL368651 0.86 LMNA (0.45) KCNH2CYP2C9CYP3A4CYP2C19ACE2
SCHEMBL371233 0.86 LMNA (0.47) KCNH2CYP2C9CYP3A4CYP2C19ACE2
SCHEMBL369169 0.85 ACE2 (0.41) KCNH2CYP2C9CYP3A4CYP2C19ACE2
SCHEMBL368702 0.84 CYP2C9 (0.39) KCNH2CYP2C9CYP3A4CYP2C19ACE2
SCHEMBL370304 0.84 ACE2 (0.40) KCNH2CYP2C9CYP3A4CYP2C19ACE2
SCHEMBL371325 0.84 PSMD14 (0.40) KCNH2CYP2C9CYP3A4CYP2C19KCNE1
SCHEMBL10069921 0.83 CALCA (0.41) KCNH2CYP2C9CYP3A4CYP2C19ACE2

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 2213/4885CYP3A4 764/4885

“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.