SCHEMBL3461028

SCHEMBL3461028

CCc1cc(-c2nc(N[C@@H]3c4ccccc4C[C@@H]3O)c3ccccc3n2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 15/20 0.46
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
ACP1 P24666 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDE5A O76074 2/20 0.39

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
SCHEMBL3459391 1.00 GBA1 (0.46) GBA1AURKARPS6KB1ACP1MEN1
SCHEMBL3459386 0.83 GBA1 (0.66) GBA1ACP1ALDH1A1PDE5A
SCHEMBL3460107 0.83 GBA1 (0.66) GBA1ACP1ALDH1A1PDE5A
SCHEMBL3459779 0.83 GBA1 (0.63) GBA1AURKARPS6KB1ACP1MEN1
SCHEMBL3459952 0.83 GBA1 (0.63) GBA1AURKARPS6KB1ACP1MEN1
SCHEMBL3460116 0.79 GBA1 (0.68) GBA1
SCHEMBL3461097 0.79 GBA1 (0.68) GBA1
SCHEMBL5565597 0.78 ADORA3 (0.52) GBA1AURKARPS6KB1MEN1ALDH1A1
SCHEMBL3460118 0.78 ADORA3 (0.52) GBA1AURKARPS6KB1MEN1ALDH1A1
SCHEMBL3460150 0.78 ADORA3 (0.52) GBA1AURKARPS6KB1MEN1ALDH1A1

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 4763/4885AURKA 592/4885RPS6KB1 2071/4885

“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.