SCHEMBL4489220

SCHEMBL4489220

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PDK1 Q15118 3/20 0.33
PDK2 Q15119 3/20 0.33
PDK3 Q15120 3/20 0.33
PDK4 Q16654 3/20 0.33
HSP90AA1 P07900 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2B Q13224 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4489137 1.00 KMT2A (0.35) KMT2AMEN1L3MBTL1PDK1PDK2
SCHEMBL4490091 1.00 KMT2A (0.35) KMT2AMEN1L3MBTL1PDK1PDK2
SCHEMBL4498568 0.89 MGLL (0.35) KMT2AMEN1POLB
SCHEMBL4499655 0.89 MGLL (0.35) KMT2AMEN1POLB
SCHEMBL4502884 0.89 MGLL (0.35) KMT2AMEN1POLB
SCHEMBL4487591 0.89 ALDH1A1 (0.40) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4494728 0.87 P2RY1 (0.37) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL4497376 0.87 P2RY1 (0.37) KMT2AMEN1PDK1PDK2PDK3
SCHEMBL4503005 0.86 PDK1 (0.48) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4503844 0.86 PDK1 (0.48) PDK1PDK2PDK3PDK4HSP90AA1

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 4 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
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 KMT2A 860/4885MEN1 2574/4885L3MBTL1 4605/4885

“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.