SCHEMBL5480120

SCHEMBL5480120

CC(C)(C)OC(=O)n1ccc2cc(OCCCN3CCOCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.50
▸ BRD4 O60885 2/20 0.49
▸ EPHX2 P34913 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ SCN1A P35498 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.46
▸ TLR7 Q9NYK1 1/20 0.46
▸ APP P05067 1/20 0.45

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
SCHEMBL3034095 0.95 BRD4 (0.52) HRH3BRD4ALDH1A1
SCHEMBL16424238 0.90 HRH3 (0.52) HRH3ALDH1A1
SCHEMBL28917884 0.85 PSMB1 (0.47) HRH3
SCHEMBL3043613 0.85 PSMB1 (0.49) HRH3
SCHEMBL6255808 0.83 BRD4 (0.40) BRD4ALDH1A1USP2TLR9TLR7
SCHEMBL13602732 0.83 NR1H2 (0.45) —
SCHEMBL1054326 0.82 SIGMAR1 (0.43) BRD4SIGMAR1USP2TLR9TLR7
SCHEMBL5484465 0.81 NR1H2 (0.43) BRD4
SCHEMBL3839290 0.81 NR1H2 (0.45) —
SCHEMBL5736321 0.80 NR1H2 (0.43) BRD4

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

“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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