Sugi Predict

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SCHEMBL368922

SCHEMBL368922

CC(=O)Nc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP2C9 P11712 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MYC P01106 1/20 0.39
▸ WDR5 P61964 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL369222 0.90 CYP2C9 (0.47) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL15097686 0.90 CYP2C9 (0.41) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL826157 0.88 CYP2C9 (0.47) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL359476 0.88 PSMD14 (0.45) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL12894148 0.87 PSMD14 (0.44) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL826461 0.86 CYP2C9 (0.45) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL359557 0.86 CYP2C9 (0.43) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL371325 0.83 PSMD14 (0.40) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL823395 0.83 CYP2C9 (0.51) KCNH2PSMD14TP53CYP2C9CYP3A4
SCHEMBL367914 0.82 PSMD14 (0.41) KCNH2PSMD14TP53CYP2C9CYP3A4

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 4307/4885PSMD14 3462/4885TP53 3404/4885

“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.