Sugi Predict

Sugi Predict / Compounds / SCHEMBL605985

SCHEMBL605985

SCHEMBL605985

CNC1CCN(c2ccc3c(=O)c4c(=O)[nH]sc4n(C4CC4)c3c2OC)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ IKBKB O14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ MAPK13 O15264 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ AKT2 P31751 1/20 0.39
▸ MAPKAPK2 P49137 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ PAK1 Q13153 1/20 0.39

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
SCHEMBL605984 1.00 KCNH2 (0.41) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL12256239 0.88 KCNH2 (0.43) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL607266 0.87 KCNH2 (0.42) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL607265 0.87 KCNH2 (0.42) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL608956 0.86 KCNH2 (0.37) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL10188487 0.86 KCNH2 (0.46) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL606538 0.86 KCNH2 (0.46) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL606537 0.86 KCNH2 (0.46) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL606539 0.86 KCNH2 (0.46) KCNH2IKBKBAURKACHUKMAPK13
SCHEMBL608955 0.86 KCNH2 (0.37) KCNH2IKBKBAURKACHUKMAPK13

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
EP-1913004-B1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-09-22 — — EP claimed
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-03-01 — — US claimed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-02-16 — — US disclosed
EP-1913004-B1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS INC (US) 2010-09-22 — — EP 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 (2 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-20120040959-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, DNA2 KCNH2 800/4885IKBKB 485/4885AURKA 1113/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 KCNH2 800/4885IKBKB 485/4885AURKA 1113/4885

“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.