SCHEMBL5480781

SCHEMBL5480781

CC(C)(C)OC(=O)n1ccc2cc(-c3ccc(C#N)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ HCK P08631 2/20 0.48
▸ SRC P12931 2/20 0.48
▸ KDR P35968 2/20 0.48
▸ PIK3CA P42336 2/20 0.48
▸ PIK3CB P42338 2/20 0.48
▸ MTOR P42345 2/20 0.48
▸ PIK3CG P48736 2/20 0.48
▸ EPHB4 P54760 2/20 0.48
▸ PRKDC P78527 2/20 0.48
▸ PI4KB Q9UBF8 2/20 0.48
▸ GPR119 Q8TDV5 2/20 0.44
▸ NR1H2 P55055 5/20 0.41
▸ SCN7A Q01118 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ EGLN2 Q96KS0 3/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ ACLY P53396 1/20 0.40

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
SCHEMBL1876083 0.90 PIK3CD (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL30218820 0.86 SCN9A (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL28917933 0.86 SCN9A (0.45) PIK3CDABL1EGFRHCKSRC
SCHEMBL13247916 0.85 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL3902843 0.85 PIK3CD (0.51) PIK3CDABL1EGFRHCKSRC
SCHEMBL2458509 0.85 ACLY (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL22130186 0.84 PIK3CD (0.55) PIK3CDABL1EGFRHCKSRC
SCHEMBL31253112 0.82 PIK3CD (0.49) PIK3CDABL1EGFRHCKSRC
SCHEMBL3964381 0.82 PIK3CD (0.52) PIK3CDABL1EGFRHCKSRC
SCHEMBL30524309 0.82 CDC7 (0.40) PIK3CDABL1EGFRHCKSRC

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 7 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
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 PIK3CD 426/4885ABL1 173/4885EGFR 554/4885
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 PIK3CD 624/4885ABL1 868/4885EGFR 703/4885

“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.

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