SCHEMBL4490842

SCHEMBL4490842

CCC1c2cccn2-c2ccc(Br)cc2N1C(=O)c1ccc(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 18/20 0.48
PDK2 Q15119 18/20 0.48
PDK3 Q15120 18/20 0.48
PDK4 Q16654 18/20 0.48
HSP90AA1 P07900 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL6001687 0.91 PDK1 (0.44) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4503005 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4509898 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4491385 0.88 PDK1 (0.42) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4506229 0.88 PDK1 (0.42) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4503844 0.88 PDK1 (0.48) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4498171 0.88 PDK1 (0.42) PDK1PDK2PDK3PDK4HSP90AA1
SCHEMBL4497376 0.86 P2RY1 (0.37) PDK1PDK2PDK3PDK4GAA
SCHEMBL4494728 0.86 P2RY1 (0.37) PDK1PDK2PDK3PDK4GAA
SCHEMBL4492423 0.86 P2RY1 (0.37) PDK1PDK2PDK3PDK4GAA

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 5 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

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 PDK1 1615/4885PDK2 1989/4885PDK3 1888/4885

“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.