SCHEMBL3460107

SCHEMBL3460107

O[C@H]1Cc2ccccc2[C@H]1Nc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.66
PDE5A O76074 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.49
ACP1 P24666 2/20 0.49
PTGS1 P23219 1/20 0.48
TBXAS1 P24557 1/20 0.48
PTGS2 P35354 1/20 0.48
TGFBR1 P36897 1/20 0.48
MAPK14 Q16539 1/20 0.48
LATS1 O95835 2/20 0.47
LATS2 Q9NRM7 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL3459386 1.00 GBA1 (0.66) GBA1PDE5AKDM4EALDH1A1POLB
SCHEMBL3459952 0.93 GBA1 (0.63) GBA1PDE5AABCG2ACP1
SCHEMBL3459779 0.93 GBA1 (0.63) GBA1PDE5AABCG2ACP1
SCHEMBL3459495 0.89 GBA1 (0.52) GBA1PDE5AKDM4EALDH1A1POLB
SCHEMBL3461097 0.88 GBA1 (0.68) GBA1
SCHEMBL3460116 0.88 GBA1 (0.68) GBA1
SCHEMBL3459580 0.88 GBA1 (0.51) GBA1PDE5AKDM4EALDH1A1POLB
SCHEMBL3460906 0.88 GBA1 (0.51) GBA1KDM4EALDH1A1POLBLATS1
SCHEMBL3460125 0.85 GBA1 (0.48) GBA1ABCG2LATS1LATS2ABCB1
SCHEMBL3460210 0.84 WHR1 (0.48) GBA1KDM4EABCG2LATS1LATS2

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 4763/4885PDE5A 1963/4885KDM4E 486/4885

“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.