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SCHEMBL367198

SCHEMBL367198

CN1CCN(c2cc(N(C)C)cn3c(=O)c(O)c(C(=O)NCc4ccc(F)cc4)nc23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ LIPG Q9Y5X9 2/20 0.39
▸ CALCA P06881 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SCD O00767 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ CNR1 P21554 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
SCHEMBL10070946 0.87 TP53 (0.40) KCNH2CYP2C9SMN1; SMN2LIPGMEN1
SCHEMBL360076 0.86 CYP2C9 (0.43) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL371325 0.86 PSMD14 (0.40) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12505473 0.86 SCD (0.39) SMN1; SMN2LIPGMEN1KMT2AHSD17B10
SCHEMBL367927 0.86 CYP2C9 (0.43) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL367848 0.86 KCNH2 (0.45) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL368996 0.85 CYP2C9 (0.39) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL12894201 0.79 CNR2 (0.35) KMT2ACNR1
SCHEMBL368069 0.79 KCNH2 (0.40) KCNH2CYP2C9SMN1; SMN2KCNE1CCR1
SCHEMBL1221718 0.78 KDM1A (0.34) CYP2C9SMN1; SMN2MEN1KMT2AHSD17B10

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 2213/4885SMN1; SMN2 2192/4885

“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.