SCHEMBL4682254

SCHEMBL4682254

O=S(=O)(Nc1nc2cc(Cl)c(Cl)cc2nc1Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CCR4 P51679 13/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ FSCN1 Q16658 1/20 0.49
▸ SLC40A1 Q9NP59 1/20 0.49

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
SCHEMBL2419211 0.90 RXFP1 (0.70) RXFP1ALDH1A1L3MBTL1CCR4KDM4E
SCHEMBL4684562 0.87 CCR4 (0.58) RXFP1ALDH1A1L3MBTL1CCR4
SCHEMBL4684020 0.84 CCR4 (0.55) RXFP1ALDH1A1L3MBTL1CCR4
SCHEMBL4683826 0.83 CCR4 (0.72) CCR4
SCHEMBL2422617 0.81 SLC40A1 (0.56) RXFP1ALDH1A1L3MBTL1CCR4SLC40A1
SCHEMBL2304255 0.80 RXFP1 (0.76) RXFP1ALDH1A1L3MBTL1CCR4KDM4E
SCHEMBL2425236 0.80 RXFP1 (0.71) RXFP1ALDH1A1L3MBTL1CCR4KDM4E
SCHEMBL1732746 0.78 CCR4 (0.71) CCR4
SCHEMBL4682187 0.76 CCR4 (0.69) CCR4
SCHEMBL1731259 0.75 CCR4 (0.69) CCR4SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 — — US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 — — US disclosed
WO-2012052420-A1 METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES MERCK SERONO S.A. GENEVA (CH) 2012-04-26 — — WO disclosed
EP-1660461-B1 NOVEL CONDENSED N-PYRAZINYL-SULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-10-22 — — EP disclosed
US-20070093491-A1 Novel condensed n-pyrazinyl-sulphonamides and their use in the treament of chemokine mediated diseases ASTRAZENECA AB (SE) 2007-04-26 — — US disclosed
EP-1660461-A1 NOVEL CONDENSED N-PYRAZINYL-SULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005021513-A1 NOVEL CONDENSED N-PYRAZINYL-SULPHONAMIDES AND THEIR USE IN THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-03-10 — — WO 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-20070093491-A1 Novel condensed n-pyrazinyl-sulphonamides and their use in the treament of chemokine mediated diseases CCL2, CCL11, CCR2 RXFP1 2588/4885ALDH1A1 2310/4885L3MBTL1 4132/4885
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides STS, NQO2, ASNS RXFP1 3539/4885ALDH1A1 2918/4885L3MBTL1 4853/4885

“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.

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