SCHEMBL20280962

SCHEMBL20280962

COc1ccc2nc(-c3ccc4c(c3)OCO4)nc(NCCc3c[nH]c4ccccc34)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 18/20 0.67
CYP3A4 P08684 18/20 0.67
CYP2D6 P10635 18/20 0.67
CYP2C19 P33261 18/20 0.67
LMNA P02545 15/20 0.67
USP2 O75604 14/20 0.67
CYP2C9 P11712 14/20 0.67
MEN1 O00255 13/20 0.67
KMT2A Q03164 13/20 0.67
CLK4 Q9HAZ1 12/20 0.67
MAPK1 P28482 9/20 0.67
TP53 P04637 9/20 0.67
MAPT P10636 5/20 0.67
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 8/20 0.63
TSHR P16473 6/20 0.63
ALOX15 P16050 6/20 0.63
HSD17B10 Q99714 5/20 0.63
GLA P06280 3/20 0.63
CASP1 P29466 2/20 0.63

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
SCHEMBL20280824 0.88 CYP1A2 (0.78) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20280952 0.86 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20280951 0.82 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20267039 0.80 PAK4 (0.64) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20281036 0.79 CYP1A2 (0.65) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20281016 0.79 CYP1A2 (0.67) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL28326760 0.79 PAK4 (0.63) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20280943 0.78 CYP1A2 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20280940 0.76 MEN1 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL20280961 0.75 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19LMNA

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 5 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

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 CYP1A2 4837/4885CYP3A4 4824/4885CYP2D6 4841/4885
US-20210130338-A1 Heparanase Inhibitors and Use Thereof HPSE, HEXD, ENGASE CYP1A2 1462/4885CYP3A4 1237/4885CYP2D6 1130/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE CYP1A2 1462/4885CYP3A4 1237/4885CYP2D6 1130/4885

“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.