SCHEMBL3460125

SCHEMBL3460125

O[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(-c2ccncc2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.48
ABCG2 Q9UNQ0 5/20 0.48
LATS1 O95835 7/20 0.41
LATS2 Q9NRM7 5/20 0.41
RORC P51449 1/20 0.38
CHEK1 O14757 1/20 0.38
CHEK2 O96017 1/20 0.38
ABCB1 P08183 1/20 0.37
CTSD P07339 1/20 0.37

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 0.86 GBA1 (0.51) GBA1LATS1LATS2
SCHEMBL3459386 0.85 GBA1 (0.66) GBA1ABCG2LATS1LATS2ABCB1
SCHEMBL3460107 0.85 GBA1 (0.66) GBA1ABCG2LATS1LATS2ABCB1
SCHEMBL3459802 0.83 GBA1 (0.40) GBA1ABCG2RORCCHEK1CHEK2
SCHEMBL3459495 0.81 GBA1 (0.52) GBA1ABCG2LATS1LATS2
SCHEMBL3460210 0.80 WHR1 (0.48) GBA1ABCG2LATS1LATS2CHEK1
SCHEMBL3459580 0.80 GBA1 (0.51) GBA1ABCG2LATS1LATS2
SCHEMBL3459779 0.79 GBA1 (0.63) GBA1ABCG2
SCHEMBL3459952 0.79 GBA1 (0.63) GBA1ABCG2
SCHEMBL3460116 0.75 GBA1 (0.68) GBA1

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 GBA1 4763/4885ABCG2 2700/4885LATS1 1418/4885

“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.