SCHEMBL5455414

SCHEMBL5455414

ON=C(Cc1cccc(Cl)n1)c1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
XDH P47989 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
SORT1 Q99523 1/20 0.31
MEN1 O00255 1/20 0.31
IDO1 P14902 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
SCHEMBL5455411 1.00 GSK3B (0.33) GSK3BALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL5943229 0.86 C1S (0.35) MAPTXDHKMT2AGAAMEN1
SCHEMBL5943225 0.86 C1S (0.35) MAPTXDHKMT2AGAAMEN1
SCHEMBL5354872 0.85 DRD4 (0.36) ALDH1A1SMN1; SMN2MAPTRAB9AXDH
SCHEMBL5354877 0.85 DRD4 (0.36) ALDH1A1SMN1; SMN2MAPTRAB9AXDH
SCHEMBL5215255 0.84 GPBAR1 (0.36) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5215249 0.84 GPBAR1 (0.36) ALDH1A1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL5452890 0.83 NOTUM (0.31)
SCHEMBL5452893 0.83 NOTUM (0.31)
SCHEMBL5351150 0.82 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MAPTXDHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287721-A1 Pyrazolopyridinyl pyridine BOYD F LESLIE 2007-12-13 US disclosed
US-7163940-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-16 US disclosed
US-20060293344-A1 Therapeutic Compounds BOYD F L 2006-12-28 US disclosed
US-7153855-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 US disclosed
EP-1377573-B1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2005-07-27 EP disclosed
US-20050049260-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US disclosed
US-20050049259-A1 Theraopeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-03-03 US disclosed
EP-1366048-B1 PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2004-08-25 EP disclosed
EP-1377573-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-01-07 EP disclosed
EP-1366048-A2 PYRAZOLOPYRIDINE DERIVATIVES SmithKline Beecham Corporation (US) 2003-12-03 EP disclosed
WO-2002072581-A2 PYRAZOLOPYRIADINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO disclosed
WO-2002048148-A2 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-20 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 (4 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-20050049259-A1 Theraopeutic compounds PCSK9, FOLH1, EPHA2 GSK3B 934/4885ALDH1A1 1417/4885SMN1; SMN2 422/4885
US-20060293344-A1 Therapeutic Compounds PCSK9, ABCB1, ABCB11 GSK3B 1284/4885ALDH1A1 232/4885SMN1; SMN2 1226/4885
US-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 GSK3B 2943/4885ALDH1A1 881/4885SMN1; SMN2 3864/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 GSK3B 1209/4885ALDH1A1 224/4885SMN1; SMN2 1322/4885

“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.