SCHEMBL20280955

SCHEMBL20280955

COc1cc2nc(-c3ccccc3)nc(N)c2cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 1/20 0.71
KDM4E B2RXH2 1/20 0.60
STAT6 P42226 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP1B1 Q16678 1/20 0.57
ABCB1 P08183 2/20 0.55
NTSR1 P30989 1/20 0.55
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
SMARCA2 P51531 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
Hydrochloric Acid SCHEMBL28182851 0.88 WHR1 (0.56) WHR1KDM4ESTAT6NPSR1CYP1A1
SCHEMBL11865837 0.87 WHR1 (0.54) WHR1KDM4ESTAT6NPSR1ABCB1
SCHEMBL28097776 0.86 DHPS (0.59) WHR1KDM4ESTAT6NPSR1GLA
SCHEMBL30227141 0.86 DHPS (0.59) WHR1KDM4ESTAT6NPSR1GLA
SCHEMBL11875439 0.85 PDPK1 (0.62) WHR1KDM4ENPSR1CYP1A2ABCB1
SCHEMBL24393198 0.83 WHR1 (0.73) WHR1KDM4ESTAT6NPSR1CYP1A2
SCHEMBL22144590 0.83 WHR1 (1.00) WHR1KDM4ESTAT6NPSR1ABCB1
SCHEMBL29589069 0.82 WHR1 (0.71) WHR1KDM4ESTAT6NPSR1CYP1A2
SCHEMBL20771102 0.82 WHR1 (0.71) WHR1KDM4ESTAT6NPSR1CYP1A2
Acetic Acid SCHEMBL7268584 0.82 WHR1 (0.49) WHR1KDM4ECYP1A1CYP1A2CYP1B1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083740-B The 4- anilinoquinazoline derivatives and preparation method of a kind of triazole containing 1,2,3- 江苏开放大学 2018-05-15 CN claimed
CN-106083740-A A kind of 4 anilinoquinazoline derivatives containing 1,2,3 triazoles and preparation method 江苏开放大学 2016-11-09 CN claimed
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
CN-106083740-B The 4- anilinoquinazoline derivatives and preparation method of a kind of triazole containing 1,2,3- 江苏开放大学 2018-05-15 CN disclosed
CN-106083740-A A kind of 4 anilinoquinazoline derivatives containing 1,2,3 triazoles and preparation method 江苏开放大学 2016-11-09 CN 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 WHR1 2926/4885KDM4E 1654/4885STAT6 1265/4885
US-20210130338-A1 Heparanase Inhibitors and Use Thereof HPSE, HEXD, ENGASE WHR1 4662/4885KDM4E 2390/4885STAT6 4441/4885
US-11718609-B2 Heparanase inhibitors and use thereof HPSE, HEXD, ENGASE WHR1 4662/4885KDM4E 2390/4885STAT6 4441/4885

“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.