SCHEMBL21676356

SCHEMBL21676356

Clc1nc2ccc(N3CCc4sccc4C3)cc2nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KCNQ2 O43526 2/20 0.39
BRD4 O60885 2/20 0.39
ABCB11 O95342 2/20 0.38
ADRA2A P08913 2/20 0.38
CYP2B6 P20813 2/20 0.38
DRD1 P21728 2/20 0.38
CYP2C19 P33261 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR2B P41595 2/20 0.38
KCNH2 Q12809 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL21676357 0.74 BRD4 (0.52) BRD4
SCHEMBL21642553 0.71 KDM4E (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27223811 0.71 MAOB (0.50) KDM4ESMN1; SMN2NPC1RAB9AKCNQ2
SCHEMBL18415538 0.71 KCNQ2 (0.48) KDM4ESMN1; SMN2NPC1RAB9AKCNQ2
SCHEMBL28921395 0.70 DRD4 (0.47) KDM4ESMN1; SMN2NPC1RAB9AKCNQ2
SCHEMBL21676355 0.68 KCNQ2 (0.44) KDM4EKCNQ2ROCK2MEN1KMT2A
SCHEMBL21642511 0.68 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30114728 0.68 ROCK2 (0.41) KDM4ESMN1; SMN2ABCB11ADRA2ACYP2B6
SCHEMBL29069673 0.68 ROCK2 (0.41) KDM4ESMN1; SMN2ABCB11ADRA2ACYP2B6
SCHEMBL14234286 0.67 DRD3 (0.57) KDM4ESMN1; SMN2ABCB11ADRA2ACYP2B6

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 2 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-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 210/4885SMN1; SMN2 4275/4885NPC1 4566/4885
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 250/4885SMN1; SMN2 4324/4885NPC1 4455/4885

“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.