SCHEMBL5481092

SCHEMBL5481092

COCCN(C)c1ccc2c(c1)cc(C(=O)C(=O)OC)n2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.35
▸ NR1H2 P55055 13/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ NR1H3 Q13133 3/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ CFTR P13569 1/20 0.31

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
SCHEMBL5482233 0.78 HTR6 (0.41) NR1H2HTR6DGAT1NR1H3PIK3CD
SCHEMBL5957852 0.76 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL5957840 0.72 CA12 (0.38) NR1H2AURKACDK2KDM4EALDH1A1
SCHEMBL5481141 0.69 EPHX2 (0.46) ALDH1A1
SCHEMBL6514969 0.68 NOD2 (0.41) NR1H2AURKACDK2KDM4ENR1H3
SCHEMBL29631943 0.67 L3MBTL1 (0.60) NR1H2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19013038 0.67 MAPT (0.46) NR1H2
SCHEMBL30597746 0.67 L3MBTL1 (0.44) NR1H2KDM4EHPGDHSD17B10HTR6
SCHEMBL29631941 0.67 MAPT (0.46) NR1H2
SCHEMBL19013605 0.67 L3MBTL1 (0.60) NR1H2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 — — US disclosed
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 — — US disclosed
US-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2007-05-10 — — US disclosed
EP-1687313-A1 INDOLYL-THIEN 3,4-B]PYRAZIN-3-ONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2006-08-09 — — EP disclosed
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 — — US disclosed
EP-1565455-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2005-08-24 — — EP disclosed
WO-2005051957-A1 INDOLYL-THIENO`3,4-B!PYRAZIN-3-ONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-09 — — WO disclosed
WO-2004043950-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2004-05-27 — — 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 (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-20070105851-A1 Indolyl-thienopyrazinone derivatives useful for treating hyperproliferative disorders and diseases associated with angiogenesis MKI67, CDK4, PGF MAP4K1 349/4885NR1H2 1099/4885AURKA 516/4885
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 MAP4K1 304/4885NR1H2 765/4885AURKA 774/4885

“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.

Send feedback