Sugi Predict

Sugi Predict / Compounds / SCHEMBL368726

SCHEMBL368726

SCHEMBL368726

O=C(NCc1ccc(F)cc1)c1nc2c(N3CCNCC3=O)cc(N3CCOCC3)cn2c(=O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ EGLN1 Q9GZT9 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL368368 0.94 ERCC1 (0.39) CYP2C9CYP3A4CYP2C19LMNAKCNH2
SCHEMBL368488 0.93 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19LMNAKCNH2
SCHEMBL368920 0.92 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19LMNAKCNH2
SCHEMBL368702 0.91 CYP2C9 (0.39) CYP2C9CYP3A4CYP2C19LMNAKCNH2
SCHEMBL359476 0.89 PSMD14 (0.45) PSMD14TP53CYP2C9CYP3A4CYP2C19
SCHEMBL367904 0.88 KCNH2 (0.37) CYP2C9LMNACNR2KCNH2ERCC1
SCHEMBL367914 0.87 PSMD14 (0.41) PSMD14TP53CYP2C9CYP3A4CYP2C19
SCHEMBL367823 0.86 TTK (0.39) PSMD14CYP2C9CYP3A4CYP2C19LMNA
SCHEMBL371325 0.86 PSMD14 (0.40) PSMD14TP53CYP2C9CYP3A4CYP2C19
SCHEMBL367927 0.85 CYP2C9 (0.43) CYP2C9CYP3A4CYP2C19LMNAKCNH2

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 PSMD14 3462/4885TP53 3404/4885CYP2C9 2213/4885

“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.