SCHEMBL4496967

SCHEMBL4496967

CCC1c2cccn2-c2ccc(Br)cc2N1C(=O)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.40
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN1 P18031 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
GRIN2C Q14957 1/20 0.38
TP53 P04637 1/20 0.36

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
SCHEMBL4494703 0.90 ELANE (0.43) MAPK1KDM4ETDP1L3MBTL1MEN1
SCHEMBL4497376 0.89 P2RY1 (0.37) P2RY1MAPK1KDM4EMEN1KMT2A
SCHEMBL4494728 0.89 P2RY1 (0.37) P2RY1MAPK1KDM4EMEN1KMT2A
SCHEMBL4487591 0.88 ALDH1A1 (0.40) P2RY1MAPK1KDM4EGLATDP1
SCHEMBL4495254 0.86 PTPN1 (0.42) P2RY1MAPK1KDM4EGLATDP1
SCHEMBL4491871 0.86 ALDH1A1 (0.39) MAPK1KDM4EGLATDP1L3MBTL1
SCHEMBL4498465 0.84 MAPK1 (0.38) MAPK1KDM4EGLATDP1L3MBTL1
SCHEMBL4496497 0.82 ALDH1A1 (0.34) P2RY1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6001687 0.78 PDK1 (0.44)
SCHEMBL4490943 0.78 ALDH1A1 (0.46) KDM4EMEN1KMT2ALMNARAB9A

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-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 P2RY1 711/4885MAPK1 1575/4885KDM4E 90/4885

“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.