SCHEMBL5481141

SCHEMBL5481141

COC(=O)C(=O)c1cc2cc(OCCCN3CCOCC3)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SCN1A P35498 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN2A Q99250 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL13291514 0.81 BRD4 (0.49) EPHX2BRD4ALDH1A1
SCHEMBL30597772 0.79 KDM4E (0.49) —
SCHEMBL5480120 0.79 HRH3 (0.50) EPHX2HRH3BRD4TLR9TLR7
SCHEMBL5957840 0.75 CA12 (0.38) ALDH1A1
SCHEMBL3034095 0.74 BRD4 (0.52) HRH3BRD4ALDH1A1
SCHEMBL14534454 0.73 EPHX2 (0.45) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL11929932 0.73 ABHD6 (0.63) EPHX2HRH3MAPK1ALDH1A1CYP1A2
SCHEMBL5957852 0.71 NR1H2 (0.51) —
SCHEMBL13291530 0.71 PSMB1 (0.48) HRH3
SCHEMBL3923323 0.71 BRD4 (0.43) BRD4ALDH1A1

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 6 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
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

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 EPHX2 3480/4885HRH3 1359/4885BRD4 116/4885
US-20060004011-A1 Indolyl pyrazinone derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis MKI67, VEGFA, FLT1 EPHX2 3969/4885HRH3 2024/4885BRD4 453/4885

“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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