SCHEMBL4497376

SCHEMBL4497376

CC[C@@H]1c2cccn2-c2ccc(Br)cc2N1C(=O)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.37
BRD4 O60885 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 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
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL4494728 1.00 P2RY1 (0.37) P2RY1BRD4MEN1KMT2AALDH1A1
SCHEMBL4496497 0.89 ALDH1A1 (0.34) P2RY1BRD4MEN1KMT2AALDH1A1
SCHEMBL4496967 0.89 P2RY1 (0.40) P2RY1MEN1KMT2ASCN5ASCN9A
SCHEMBL6001687 0.88 PDK1 (0.44) PDK1PDK2PDK3PDK4
SCHEMBL4489220 0.87 KMT2A (0.35) MEN1KMT2AALDH1A1HPGDPDK1
SCHEMBL4490091 0.87 KMT2A (0.35) MEN1KMT2AALDH1A1HPGDPDK1
SCHEMBL4489137 0.87 KMT2A (0.35) MEN1KMT2AALDH1A1HPGDPDK1
SCHEMBL4490842 0.86 PDK1 (0.48) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4482045 0.85 KMT2A (0.43) P2RY1MEN1KMT2AALDH1A1HPGD
SCHEMBL4490340 0.83 MEN1 (0.34) P2RY1MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 P2RY1 711/4885BRD4 214/4885MEN1 2574/4885

“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.