SCHEMBL21642553

SCHEMBL21642553

Clc1nc2ccc(N3CCSCC3)cc2nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LGMN Q99538 2/20 0.47
TERT O14746 3/20 0.42
MAPT P10636 4/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 1/20 0.39
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL21642511 0.80 SMN1; SMN2 (0.52) KDM4ENPC1RAB9ASMN1; SMN2LGMN
SCHEMBL21676356 0.71 KDM4E (0.43) KDM4ENPC1RAB9ASMN1; SMN2THRB
SCHEMBL8648277 0.70 AKR1C3 (0.66) SMN1; SMN2LGMNMAPTALDH1A1AKR1C3
SCHEMBL21642418 0.70 RAB9A (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21676441 0.70 RAB9A (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7794559 0.68 HTR3E (0.62) SMN1; SMN2MAPTTHRBALDH1A1TP53
SCHEMBL4424595 0.67 LGMN (0.47) SMN1; SMN2LGMNMAPTTHRBALDH1A1
SCHEMBL20440550 0.66 LGMN (0.76) KDM4ENPC1RAB9ASMN1; SMN2LGMN
SCHEMBL12490848 0.64 ALDH1A1 (0.56) KDM4ENPC1RAB9ASMN1; SMN2LGMN
SCHEMBL31399981 0.64 KDM4E (0.57) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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 KDM4E 210/4885NPC1 4566/4885RAB9A 1870/4885
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 KDM4E 250/4885NPC1 4455/4885RAB9A 1835/4885

“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.