SCHEMBL21159501

SCHEMBL21159501

CC(C)(C)OC(=O)Cn1nc(C(N)O)c2cc(-c3cncnc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
GPR119 Q8TDV5 1/20 0.35
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CFD P00746 5/20 0.32
ICMT O60725 1/20 0.32
TTK P33981 1/20 0.31
MAP4K4 O95819 1/20 0.31
LRRK2 Q5S007 1/20 0.31
ALOX5AP P20292 1/20 0.31

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
SCHEMBL18649190 0.85 CFD (0.35) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL21756794 0.84 AOC3 (0.41) GPR119CFD
SCHEMBL29545721 0.84 HDAC8 (0.41) HDAC8GPR119DYRK1AKDM4EALDH1A1
SCHEMBL17025123 0.84 HDAC8 (0.41) HDAC8GPR119DYRK1AKDM4EALDH1A1
SCHEMBL20589148 0.82 CFD (0.41) HDAC8CFD
SCHEMBL26253941 0.82 FPR2 (0.37) KDM4EALDH1A1MAPTHDAC6SMN1; SMN2
SCHEMBL21159191 0.80 CFD (0.42) DYRK1AKDM4EALDH1A1MAPTLMNA
SCHEMBL20307121 0.80 MAPT (0.36) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL21159405 0.78 CFD (0.40) DYRK1AKDM4EALDH1A1MAPTLMNA
SCHEMBL20992364 0.78 CFD (0.40) HDAC8GPR119DYRK1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-07-11 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 (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-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 HDAC8 2003/4885GPR119 2956/4885DYRK1A 4416/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HDAC8 1710/4885GPR119 2964/4885DYRK1A 4471/4885
US-20190211033-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 HDAC8 2003/4885GPR119 2956/4885DYRK1A 4416/4885

“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.