SCHEMBL3460210

SCHEMBL3460210

COc1cc2nc(-c3ccncc3)nc(N[C@H]3c4ccccc4C[C@H]3O)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 2/20 0.48
GBA1 P04062 2/20 0.47
ABCG2 Q9UNQ0 4/20 0.46
ABCB1 P08183 3/20 0.46
CHEK1 O14757 2/20 0.42
CHEK2 O96017 2/20 0.42
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
EGFR P00533 1/20 0.41
LATS1 O95835 4/20 0.40
LATS2 Q9NRM7 2/20 0.40
KDM4E B2RXH2 1/20 0.39
STAT6 P42226 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NTSR1 P30989 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCC1 P33527 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL3460906 0.85 GBA1 (0.51) GBA1LATS1LATS2KDM4E
SCHEMBL3460107 0.84 GBA1 (0.66) GBA1ABCG2ABCB1LATS1LATS2
SCHEMBL3459386 0.84 GBA1 (0.66) GBA1ABCG2ABCB1LATS1LATS2
SCHEMBL3459495 0.83 GBA1 (0.52) GBA1ABCG2LATS1LATS2KDM4E
SCHEMBL3459580 0.83 GBA1 (0.51) GBA1ABCG2LATS1LATS2KDM4E
SCHEMBL3460125 0.80 GBA1 (0.48) GBA1ABCG2ABCB1CHEK1CHEK2
SCHEMBL3459779 0.77 GBA1 (0.63) GBA1ABCG2MEN1KMT2A
SCHEMBL3459952 0.77 GBA1 (0.63) GBA1ABCG2MEN1KMT2A
SCHEMBL3461028 0.75 GBA1 (0.46) GBA1MEN1KMT2ATSHR
SCHEMBL3459391 0.75 GBA1 (0.46) GBA1MEN1KMT2ATSHR

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 6 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 claimed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US claimed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 US 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 2056/4885GBA1 4763/4885ABCG2 2700/4885

“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.