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SCHEMBL369222

SCHEMBL369222

CN(C)C(=O)C(=O)Nc1cc(N2CCOCC2)cn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.47
▸ KCNH2 Q12809 1/20 0.42
▸ PSMD14 O00487 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KCNE1 P15382 1/20 0.37
▸ CCR1 P32246 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PIK3CB P42338 3/20 0.37

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
SCHEMBL368922 0.90 KCNH2 (0.42) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL15097686 0.87 CYP2C9 (0.41) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL826461 0.86 CYP2C9 (0.45) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL826157 0.84 CYP2C9 (0.47) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL359476 0.84 PSMD14 (0.45) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL359557 0.84 CYP2C9 (0.43) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL12894148 0.83 PSMD14 (0.44) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL369064 0.82 MAPT (0.38) CYP2C19KDM4EALDH1A1LMNAPIK3CB
SCHEMBL371325 0.80 PSMD14 (0.40) CYP2C9KCNH2PSMD14CYP3A4CYP2C19
SCHEMBL823395 0.80 CYP2C9 (0.51) CYP2C9KCNH2PSMD14CYP3A4CYP2C19

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 5 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
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 4307/4885PSMD14 3462/4885

“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.