SCHEMBL3459996

SCHEMBL3459996

COc1cc2nc(-c3ccncc3)nc(O)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.54
PDGFRB P09619 4/20 0.51
PDGFRA P16234 4/20 0.51
ABCB1 P08183 3/20 0.48
ABCG2 Q9UNQ0 3/20 0.48
MAPT P10636 4/20 0.48
ATM Q13315 1/20 0.46
KDM4E B2RXH2 4/20 0.46
STAT6 P42226 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
S1PR1 P21453 2/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PGK1 P00558 1/20 0.43
NTSR1 P30989 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5257184 0.85 WHR1 (0.54) WHR1PDGFRBPDGFRAABCG2MAPT
SCHEMBL5258730 0.84 WHR1 (0.52) WHR1PDGFRBPDGFRAKDM4ESTAT6
SCHEMBL24393216 0.84 WHR1 (0.55) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL5257441 0.83 WHR1 (0.49) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL11865837 0.82 WHR1 (0.54) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL3469022 0.82 WHR1 (0.54) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL29589358 0.82 WHR1 (0.54) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL16037770 0.81 WHR1 (0.48) WHR1PDGFRBPDGFRAMAPTKDM4E
SCHEMBL24392658 0.80 WHR1 (0.51) WHR1PDGFRBPDGFRAABCB1ABCG2
SCHEMBL2838426 0.77 WHR1 (0.58) WHR1PDGFRBPDGFRAABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
EP-1610774-A4 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-07-16 EP disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
EP-1610774-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-01-04 EP disclosed
WO-2004092196-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2004-10-28 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR WHR1 2056/4885PDGFRB 45/4885PDGFRA 135/4885

“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.