SCHEMBL5452890

SCHEMBL5452890

O/N=C(\Cc1cccc(Cl)n1)c1ccc(Cl)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.31
KDR P35968 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
SCHEMBL5452893 1.00 NOTUM (0.31) NOTUMKDR
SCHEMBL5943222 0.84 MEN1 (0.42)
SCHEMBL5943224 0.84 MEN1 (0.42)
SCHEMBL5943225 0.84 C1S (0.35)
SCHEMBL5943229 0.84 C1S (0.35)
SCHEMBL5455411 0.83 GSK3B (0.33)
SCHEMBL5455414 0.83 GSK3B (0.33)
SCHEMBL5454744 0.81 RAB9A (0.40) KDR
SCHEMBL5943250 0.78 KCNK3 (0.35)
SCHEMBL5943253 0.78 KCNK3 (0.35)

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 NOTUM 3418/4885KDR 456/4885
US-20060293344-A1 Therapeutic Compounds PCSK9, ABCB1, ABCB11 NOTUM 765/4885KDR 4085/4885
US-20070287721-A1 Pyrazolopyridinyl pyridine CYP3A5, CYP2C19, CYP3A4 NOTUM 1022/4885KDR 3259/4885
US-20050049260-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 NOTUM 762/4885KDR 4025/4885

“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.