SCHEMBL20280949

SCHEMBL20280949

COc1cc2nc(NCCc3ccccn3)nc(NCCc3c[nH]c4ccccc34)c2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 4/20 0.54
HTR7 P34969 4/20 0.54
HTR6 P50406 4/20 0.54
PGK1 P00558 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.53
IP6K1 Q92551 2/20 0.52
PDE10A Q9Y233 1/20 0.51
PAK4 O96013 8/20 0.50
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KDM1A O60341 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
SCHEMBL20281071 0.92 HTR1A (0.62) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL23342409 0.88 PDE10A (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL30526272 0.87 HTR1A (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20267158 0.87 HTR1A (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20280920 0.83 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20281070 0.82 APP (0.60) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20267012 0.81 HTT (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20281016 0.80 CYP1A2 (0.67) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20280940 0.79 MEN1 (0.57) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL20280944 0.79 CYP1A2 (0.60) HTR1ADRD2HTR2AHTR7HTR6

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-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 US disclosed
US-11718609-B2 Heparanase inhibitors and use thereof Beta Therapeutics Pty Ltd (AU) 2023-08-08 US disclosed
US-20210130338-A1 Heparanase Inhibitors and Use Thereof Beta Therapeutics Pty Ltd (AU) 2021-05-06 US disclosed
US-20200093852-A1 Methods of Treating Ocular Disorders Beta Therapeutics Pty Ltd (AU) 2020-03-26 US disclosed
WO-2018107200-A1 HEPARANASE INHIBITORS AND USE THEREOF Beta Therapeutics Pty Ltd (AU) 2018-06-21 WO disclosed
WO-2018107226-A1 METHODS OF TREATING OCULAR DISORDERS Beta Therapeutics Pty. Ltd. (AU) 2018-06-21 WO 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 (3 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-20200093852-A1 Methods of Treating Ocular Disorders ALDH1A2, HPSE, RB1 HTR1A 4553/4885DRD2 4882/4885HTR2A 4539/4885
US-20210130338-A1 Heparanase Inhibitors and Use Thereof HPSE, HEXD, ENGASE HTR1A 1542/4885DRD2 4744/4885HTR2A 1332/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE HTR1A 1542/4885DRD2 4744/4885HTR2A 1332/4885

“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.