SCHEMBL3579867

SCHEMBL3579867

CC(C)S(=O)(=O)Nc1nc2ccccc2nc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 11/20 0.60
KDM4E B2RXH2 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
POLB P06746 1/20 0.57
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.54
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
PIK3CG P48736 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL14762280 0.83 RXFP1 (0.56) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL2302871 0.81 RXFP1 (0.66) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL8900694 0.80 MEN1 (0.54) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL3578944 0.79 RXFP1 (0.62) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL8893747 0.79 GUCY1B2 (0.47) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL14094953 0.78 RXFP1 (0.66) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL189044 0.75 RXFP1 (1.00) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL2302821 0.75 RXFP1 (0.57) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL10044529 0.74 RXFP1 (0.62) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1
SCHEMBL2302031 0.74 ALDH1A1 (0.78) RXFP1KDM4ENPSR1ALDH1A1L3MBTL1

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
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
EP-2118076-B1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO SA (CH) 2019-09-04 EP disclosed
US-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US disclosed
CN-101663283-A Quinoxaline compounds and use thereof MERCK SERONO SA 2010-03-03 CN disclosed
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 WO disclosed
WO-2008101979-A1 QUINOXALINE COMPOUNDS AND USE THEREOF MERCK SERONO S.A. (CH) 2008-08-28 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 (1 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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 RXFP1 1332/4885KDM4E 2803/4885NPSR1 2581/4885

“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.