Sugi Predict

Sugi Predict / Compounds / SCHEMBL359611

SCHEMBL359611

SCHEMBL359611

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.46
▸ CYP2C9 P11712 2/20 0.42
▸ ACE2 Q9BYF1 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ DCTPP1 Q9H773 2/20 0.38
▸ TTK P33981 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CALCA P06881 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ TP53 P04637 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
SCHEMBL10070936 0.92 KCNH2 (0.44) KCNH2CYP2C9CYP3A4CYP2C19POLB
Trifluoroacetic Acid SCHEMBL368835 0.89 KCNH2 (0.42) KCNH2CYP2C9CYP3A4CYP2C19SMN1; SMN2
SCHEMBL10070414 0.87 CNR2 (0.39) KCNH2CYP2C9ACE2CYP3A4CYP2C19
SCHEMBL368656 0.86 SMN1; SMN2 (0.40) KCNH2ACE2SMN1; SMN2DCTPP1ALDH1A1
SCHEMBL368831 0.85 KCNH2 (0.42) KCNH2CYP2C9ACE2CYP3A4CYP2C19
SCHEMBL10071006 0.83 CYP2C9 (0.39) KCNH2CYP2C9ACE2CYP3A4CYP2C19
SCHEMBL15101375 0.83 KCNH2 (0.45) KCNH2CYP2C9SMN1; SMN2CCR1KCNE1
SCHEMBL826461 0.83 CYP2C9 (0.45) KCNH2CYP2C9CYP3A4CYP2C19SMN1; SMN2
SCHEMBL826251 0.81 CYP2C9 (0.54) KCNH2CYP2C9ACE2CYP3A4CYP2C19
SCHEMBL359557 0.81 CYP2C9 (0.43) KCNH2CYP2C9CYP3A4CYP2C19SMN1; SMN2

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 2213/4885ACE2 8/4885

“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.