SCHEMBL3459779

SCHEMBL3459779

O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 13/20 0.63
ACP1 P24666 3/20 0.56
PDE5A O76074 3/20 0.54
ABCG2 Q9UNQ0 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL3459952 1.00 GBA1 (0.63) GBA1ACP1PDE5AABCG2MEN1
SCHEMBL3460107 0.93 GBA1 (0.66) GBA1ACP1PDE5AABCG2
SCHEMBL3459386 0.93 GBA1 (0.66) GBA1ACP1PDE5AABCG2
SCHEMBL3460116 0.90 GBA1 (0.68) GBA1
SCHEMBL3461097 0.90 GBA1 (0.68) GBA1
SCHEMBL3460493 0.87 GBA1 (0.53) GBA1ACP1PDE5AAURKARPS6KB1
SCHEMBL5565597 0.85 ADORA3 (0.52) GBA1PDE5AABCG2MEN1KMT2A
SCHEMBL3460118 0.85 ADORA3 (0.52) GBA1PDE5AABCG2MEN1KMT2A
SCHEMBL3460150 0.85 ADORA3 (0.52) GBA1PDE5AABCG2MEN1KMT2A
SCHEMBL5565602 0.85 ADORA3 (0.52) GBA1PDE5AABCG2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 GBA1 4763/4885ACP1 1276/4885PDE5A 1963/4885

“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.