SCHEMBL4495844

SCHEMBL4495844

CC1c2cccn2-c2ccc(F)cc2N1C(=O)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MGLL Q99685 3/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
HSP90AA1 P07900 2/20 0.35
SLC2A1 P11166 1/20 0.34
SLC2A4 P14672 1/20 0.34
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL4502357 1.00 KMT2A (0.39) KMT2AMGLLPTPN2PTPN1PDK1
SCHEMBL4489743 1.00 KMT2A (0.39) KMT2AMGLLPTPN2PTPN1PDK1
SCHEMBL4503272 0.89 KMT2A (0.43) KMT2APTPN2PTPN1PDK1PDK2
SCHEMBL4491393 0.89 KMT2A (0.43) KMT2APTPN2PTPN1PDK1PDK2
SCHEMBL4501038 0.89 KMT2A (0.43) KMT2APTPN2PTPN1PDK1PDK2
SCHEMBL4501832 0.87 PTPN2 (0.36) KMT2AMGLLPTPN2PTPN1PDK1
SCHEMBL4499655 0.86 MGLL (0.35) KMT2AMGLLSLC2A1SLC2A4
SCHEMBL4497604 0.86 ALDH1A1 (0.48) KMT2APTPN1TSHR
SCHEMBL4498568 0.86 MGLL (0.35) KMT2AMGLLSLC2A1SLC2A4
SCHEMBL4502884 0.86 MGLL (0.35) KMT2AMGLLSLC2A1SLC2A4

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 KMT2A 860/4885MGLL 4656/4885PTPN2 343/4885

“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.