SCHEMBL368488

SCHEMBL368488

O=C(NCc1ccc(F)cc1)c1nc2c(N3CCNCC3=O)cc(N3CCCC3)cn2c(=O)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CALCA P06881 3/20 0.39
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNE1 P15382 1/20 0.36
CCR1 P32246 1/20 0.36
KCNQ1 P51787 1/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL368920 0.99 CYP2C9 (0.41) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL368368 0.96 ERCC1 (0.39) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL368702 0.93 CYP2C9 (0.39) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL368726 0.93 PSMD14 (0.40) CYP2C9KCNH2ERCC1FEN1ERCC4
SCHEMBL367927 0.88 CYP2C9 (0.43) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL368651 0.85 LMNA (0.45) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL367823 0.85 TTK (0.39) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL367904 0.84 KCNH2 (0.37) CYP2C9KCNH2SMN1; SMN2ERCC1FEN1
SCHEMBL371233 0.84 LMNA (0.47) CYP2C9KCNH2SMN1; SMN2CALCAERCC1
SCHEMBL368029 0.83 KCNH2 (0.43) CYP2C9KCNH2SMN1; SMN2CALCAERCC1

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 2213/4885KCNH2 4307/4885SMN1; 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.