Sugi Predict

Sugi Predict / Compounds / SCHEMBL609031

SCHEMBL609031

SCHEMBL609031

COc1c(N2CC[C@@H](N)C2)c(F)cc2c(=O)c3c(=O)[nH]sc3n(C3CC3)c12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ CHUK O15111 1/20 0.48
▸ MAPK13 O15264 1/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ PRKCG P05129 1/20 0.48
▸ PIM1 P11309 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ MARK3 P27448 1/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ AKT2 P31751 1/20 0.48
▸ MAPKAPK2 P49137 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ NEK2 P51955 1/20 0.48
▸ PLK1 P53350 1/20 0.48
▸ MAPK12 P53778 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ PRKCD Q05655 1/20 0.48
▸ PAK1 Q13153 1/20 0.48
▸ STK3 Q13188 1/20 0.48

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
SCHEMBL609032 1.00 IKBKB (0.48) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL618307 0.94 IKBKB (0.50) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL12258313 0.90 IKBKB (0.47) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL9215159 0.90 PIM1 (0.56) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL730100 0.90 IKBKB (0.45) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL728226 0.90 IKBKB (0.45) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL606354 0.90 IKBKB (0.45) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL10188391 0.90 IKBKB (0.45) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL609247 0.89 KCNH2 (0.58) IKBKBAURKACHUKMAPK13DAPK3
Hydrochloric Acid SCHEMBL605764 0.89 IKBKB (0.44) IKBKBAURKACHUKMAPK13DAPK3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 — — US claimed
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-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-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
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
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
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 — — US disclosed
US-8044204-B2 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2011-10-25 — — 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
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 disclosed
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 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 IKBKB 485/4885AURKA 1113/4885CHUK 279/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 IKBKB 485/4885AURKA 1113/4885CHUK 279/4885

“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.