SCHEMBL3459802

SCHEMBL3459802

COc1ccc(-c2nc(N[C@H]3c4ccccc4C[C@H]3O)c3ccc(C(F)(F)F)cc3n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.40
KDM1A O60341 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.37
RORC P51449 1/20 0.36
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 2/20 0.34
CHEK1 O14757 1/20 0.34
CHEK2 O96017 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3461042 0.87 GBA1 (0.52) GBA1KDM1AMEN1USP2KMT2A
SCHEMBL3460125 0.83 GBA1 (0.48) GBA1ABCG2RORCCHEK1CHEK2
SCHEMBL3460493 0.74 GBA1 (0.53) GBA1AURKARPS6KB1PDE5A
SCHEMBL3460210 0.71 WHR1 (0.48) GBA1ABCG2MEN1KMT2ACHEK1
SCHEMBL3459779 0.71 GBA1 (0.63) GBA1ABCG2MEN1KMT2AAURKA
SCHEMBL3459952 0.71 GBA1 (0.63) GBA1ABCG2MEN1KMT2AAURKA
SCHEMBL3460906 0.71 GBA1 (0.51) GBA1AURKAALDH1A1
SCHEMBL3460116 0.70 GBA1 (0.68) GBA1
SCHEMBL3461097 0.70 GBA1 (0.68) GBA1
SCHEMBL3459783 0.69 CYP1A2 (0.42) GBA1MEN1USP2KMT2AAURKA

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 2 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
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 4763/4885KDM1A 347/4885ABCG2 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.