SCHEMBL7340914

SCHEMBL7340914

Cc1nnc2c(Cl)nc3ccccc3n12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.68
KMT2A Q03164 4/20 0.63
POLB P06746 3/20 0.63
MEN1 O00255 3/20 0.63
HSD17B10 Q99714 2/20 0.63
HPGD P15428 1/20 0.60
ALDH1A1 P00352 3/20 0.58
RXFP1 Q9HBX9 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
HIF1A Q16665 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALOX15 P16050 1/20 0.56
CREBBP Q92793 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 2/20 0.53

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
SCHEMBL10846312 0.81 CUL4A (0.54)
SCHEMBL10847181 0.81 TYMS (1.00) TYMSKMT2APOLBMEN1HSD17B10
SCHEMBL20440491 0.81 MAPT (0.58) TYMSKMT2APOLBMEN1HSD17B10
SCHEMBL10845633 0.80 TYMS (0.58) TYMSKMT2APOLBMEN1HSD17B10
SCHEMBL7340895 0.80 HTR2C (0.66) TYMSKMT2AMEN1HPGDALDH1A1
SCHEMBL5357643 0.80 TYMS (0.58) TYMSKMT2APOLBMEN1HSD17B10
SCHEMBL8117461 0.79 TYMS (0.57) TYMSKMT2APOLBMEN1HSD17B10
SCHEMBL20440190 0.78 PDE2A (0.53) RXFP1TP53
SCHEMBL14765068 0.78 PDE2A (0.77) TYMSHPGDLMNAKDM4E
SCHEMBL19786607 0.78 TYMS (0.60) TYMSKMT2APOLBMEN1HSD17B10

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 10 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
US-4780464-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-25 US disclosed
US-4623725-A [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives PFIZER INC. (US) 1986-11-18 US disclosed
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed
EP-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP 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 TYMS 1983/4885KMT2A 276/4885POLB 997/4885
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 TYMS 1995/4885KMT2A 339/4885POLB 909/4885

“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.