Sugi Predict

Sugi Predict / Compounds / SCHEMBL370304

SCHEMBL370304

SCHEMBL370304

CN1CCN(c2cc(N3CCCOC3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ CALCA P06881 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TTK P33981 2/20 0.37
▸ ERCC1 P07992 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ ERCC4 Q92889 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LIPG Q9Y5X9 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PSMD14 O00487 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL369169 0.96 ACE2 (0.41) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL10070439 0.92 CYP2C9 (0.38) CYP2C9KCNH2CYP3A4CYP2C19KCNE1
SCHEMBL368651 0.89 LMNA (0.45) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL371233 0.89 LMNA (0.47) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL367823 0.87 TTK (0.39) CYP2C9KCNH2CYP3A4CYP2C19KCNE1
SCHEMBL367848 0.87 KCNH2 (0.45) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL368702 0.85 CYP2C9 (0.39) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL368069 0.84 KCNH2 (0.40) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL367914 0.84 PSMD14 (0.41) ACE2CYP2C9KCNH2CYP3A4CYP2C19
SCHEMBL10069921 0.84 CALCA (0.41) ACE2CYP2C9KCNH2CYP3A4CYP2C19

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 ACE2 8/4885CYP2C9 2213/4885KCNH2 4307/4885

“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.