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SCHEMBL368996

SCHEMBL368996

CC(C)N1CCN(c2cc(N3CCN(C)C3=O)c3nc(C(=O)NCc4ccc(F)cc4)c(O)c(=O)n3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KCNH2 Q12809 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
▸ CALCA P06881 1/20 0.36
▸ DCTPP1 Q9H773 1/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ERCC1 P07992 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ ERCC4 Q92889 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
SCHEMBL371325 0.90 PSMD14 (0.40) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL368069 0.88 KCNH2 (0.40) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL367198 0.85 KCNH2 (0.44) CYP2C9KCNH2KCNE1CCR1KCNQ1
SCHEMBL10070440 0.82 CDK4 (0.32) MAPT
SCHEMBL368651 0.81 LMNA (0.45) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL371233 0.81 LMNA (0.47) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL10070936 0.81 KCNH2 (0.44) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL369054 0.81 LMNA (0.38) SMN1; SMN2LIPGGAAERCC1ERCC4
SCHEMBL369169 0.81 ACE2 (0.41) CYP2C9CYP3A4CYP2C19KCNH2KCNE1
SCHEMBL368702 0.80 CYP2C9 (0.39) CYP2C9CYP3A4CYP2C19KCNH2KCNE1

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 CYP2C9 2213/4885CYP3A4 764/4885CYP2C19 951/4885

“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.