SCHEMBL3459459

SCHEMBL3459459

CSc1nccc(-c2nc(N[C@H]3c4ccccc4C[C@H]3O)c3ccccc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
GBA1 P04062 15/20 0.40
TGFBR1 P36897 3/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TGFBR2 P37173 1/20 0.36

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
SCHEMBL3459455 0.85 AURKA (0.45) AURKARPS6KB1GBA1MEN1RAB9A
SCHEMBL3460118 0.83 ADORA3 (0.52) AURKARPS6KB1GBA1MEN1RAB9A
SCHEMBL5565602 0.83 ADORA3 (0.52) AURKARPS6KB1GBA1MEN1RAB9A
SCHEMBL3460150 0.83 ADORA3 (0.52) AURKARPS6KB1GBA1MEN1RAB9A
SCHEMBL5565597 0.83 ADORA3 (0.52) AURKARPS6KB1GBA1MEN1RAB9A
SCHEMBL3459814 0.81 GBA1 (0.47) AURKARPS6KB1GBA1
SCHEMBL3459952 0.79 GBA1 (0.63) AURKARPS6KB1GBA1MEN1KMT2A
SCHEMBL3459779 0.79 GBA1 (0.63) AURKARPS6KB1GBA1MEN1KMT2A
SCHEMBL3459386 0.78 GBA1 (0.66) GBA1TGFBR1
SCHEMBL3460107 0.78 GBA1 (0.66) GBA1TGFBR1

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 AURKA 592/4885RPS6KB1 2071/4885GBA1 4763/4885

“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.