Sugi Predict

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SCHEMBL4490340

SCHEMBL4490340

CC(C)(C)C1c2cccn2-c2ccc(Br)cc2N1C(=O)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ P2RY1 P47900 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
SCHEMBL4493381 0.89 P4HB (0.36) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4502097 0.89 P4HB (0.36) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4498275 0.89 P4HB (0.36) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4498465 0.89 MAPK1 (0.38) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL4499456 0.86 PDK1 (0.48) PDK1PDK2PDK3PDK4
SCHEMBL4482045 0.85 KMT2A (0.43) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4497376 0.83 P2RY1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4494728 0.83 P2RY1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4501832 0.75 PTPN2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2PDK1
SCHEMBL4495254 0.74 PTPN1 (0.42) MEN1KMT2AALDH1A1GAAL3MBTL1

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-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 — — US claimed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US claimed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — WO claimed
US-7563793-B2 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2009-07-21 — — US disclosed
US-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents WYETH (US) 2006-07-20 — — US disclosed
WO-2006068928-A1 PYRROLO[1,2-A]QUINOXALIN-5-(4H)-YL)SULFONYLS AND CARBONYLS AND THEIR USE AS ESTROGENIC AGENTS WYETH (US) 2006-06-29 — — 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 (1 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-20060160815-A1 Pyrrolo[1,2-a]quinoxalin-5-(4H)-yl)sulfonyls and carbonyls and their use as estrogenic agents ESR1, GPER1, ESR2 MEN1 2574/4885KMT2A 860/4885ALDH1A1 2755/4885

“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.