SCHEMBL1475779

SCHEMBL1475779

CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(N2CCCC(O)C2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.73
IDH2 P48735 3/20 0.51

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
SCHEMBL1475771 1.00 IMPDH2 (0.73) IMPDH2IDH2
SCHEMBL1475817 0.96 IMPDH2 (0.74) IMPDH2IDH2
SCHEMBL1472747 0.91 IMPDH2 (0.79) IMPDH2
SCHEMBL1473580 0.90 IMPDH2 (0.77) IMPDH2
SCHEMBL1473440 0.89 IMPDH2 (0.88) IMPDH2
SCHEMBL1474102 0.86 IMPDH2 (0.72) IMPDH2
SCHEMBL1474107 0.86 IMPDH2 (0.72) IMPDH2
SCHEMBL1476264 0.85 IMPDH2 (0.66) IMPDH2
SCHEMBL1474177 0.85 IMPDH2 (0.75) IMPDH2
SCHEMBL1472655 0.84 IMPDH2 (0.83) IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP claimed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP claimed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO claimed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US claimed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
EP-1786415-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2007-05-23 EP disclosed
US-20060106097-A1 Metabolism-modulating agents and uses therefor UNIVERSITY OF QUEENSLAND (AU) 2006-05-18 US disclosed
WO-2006017896-A1 METABOLISM-MODULATING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2006-02-23 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 (2 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-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IDH2 499/4885
US-20060106097-A1 Metabolism-modulating agents and uses therefor IMPDH1, IMPDH2, HADHB IMPDH2 2/4885IDH2 65/4885

“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.