SCHEMBL606398

SCHEMBL606398

CCn1c2s[nH]c(=O)c2c(=O)c2cc(F)c(N3CCNCC3)c(OC)c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
KCNH2 Q12809 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IKBKB O14920 1/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKCG P05129 1/20 0.35
PIM1 P11309 1/20 0.35
CDK2 P24941 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
SCHEMBL9824362 0.89 PIM1 (0.37) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9209275 0.89 IKBKB (0.40) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL608758 0.84 IKBKB (0.48) IKBKBAURKACHUKMAPK13DAPK3
SCHEMBL606909 0.83 KCNH2 (0.41) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL606908 0.83 KCNH2 (0.41) POLBKDM4EPRKD3ALDH1A1HPGD
SCHEMBL9206115 0.80 IKBKB (0.40) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9824172 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9214098 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9207666 0.79 IKBKB (0.40) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL9207128 0.79 IKBKB (0.42) KDM4EALDH1A1HPGDHSD17B10IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 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
EP-1913004-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2008-04-23 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
WO-2007014308-A1 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2007-02-01 WO 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 POLB 13/4885KDM4E 1417/4885PRKD3 1555/4885
US-20070049586-A1 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents TOP1, TOP2B, DNA2 POLB 13/4885KDM4E 1417/4885PRKD3 1555/4885

“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.