SCHEMBL21642441

SCHEMBL21642441

CC(C)Oc1ccc2nc(Cl)c(Cl)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
NQO2 P16083 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FGFR1 P11362 1/20 0.42
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
CBFB Q13951 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GFER P55789 1/20 0.38
PARP10 Q53GL7 1/20 0.38

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
SCHEMBL17155691 0.85 PDE3B (0.39) PDE3BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL16024452 0.85 PDK2 (0.37) PDE3BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL15647422 0.85 PDK2 (0.37) PDE3BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL11602178 0.81 PDE3B (0.40) PDE3BPDE3AALDH1A1KMT2AKDM4E
SCHEMBL17848984 0.80 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL17139277 0.79 MAPK14 (0.50) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL15647953 0.79 MAPK14 (0.50) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL1160610 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL31399998 0.79 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4ELMNAMEN1
SCHEMBL9812280 0.76 TDP1 (0.39) PDE3BPDE3AALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 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 (2 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-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 PDE3B 3866/4885PDE3A 3315/4885ALDH1A1 4699/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 PDE3B 3976/4885PDE3A 3491/4885ALDH1A1 4714/4885

“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.