SCHEMBL2303166

SCHEMBL2303166

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.62
RXFP1 Q9HBX9 5/20 0.62
NPSR1 Q6W5P4 1/20 0.62
ALDH1A1 P00352 9/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
HSD17B10 Q99714 3/20 0.60
USP2 O75604 2/20 0.60
POLB P06746 2/20 0.59
MEN1 O00255 10/20 0.59
KMT2A Q03164 10/20 0.59
MAPT P10636 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 4/20 0.58
NOD2 Q9HC29 2/20 0.57
MAPK1 P28482 2/20 0.57
HPGD P15428 1/20 0.56
TNF P01375 1/20 0.55
LMNA P02545 1/20 0.55
NOD1 Q9Y239 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL10044450 0.81 RXFP1 (0.59) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4682088 0.80 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HSD17B10USP2
SCHEMBL27748999 0.79 RXFP1 (0.64) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL27749039 0.79 RXFP1 (0.61) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2306031 0.78 RXFP1 (0.59) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL2304808 0.78 RXFP1 (0.61) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL10044531 0.78 RXFP1 (0.59) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL189044 0.77 RXFP1 (1.00) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL6608230 0.77 KDM4E (0.56) KDM4ENPSR1ALDH1A1HSD17B10KMT2A
SCHEMBL15180083 0.77 RXFP1 (0.80) KDM4ERXFP1NPSR1ALDH1A1SMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 US disclosed
US-8877757-B2 Pyrazine derivatives and use as PI3K inhibitors MERCK SERONO SA (CH) 2014-11-04 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
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
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
CN-101296909-B pyrazine derivatives and application thereof as PI3K inhibitor SERONO LAB 2011-10-12 CN disclosed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 EP disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 US disclosed
CN-101296909-A Pyrazine derivatives and application thereof as PI3K inhibitor SERONO LAB (CH) 2008-10-29 CN disclosed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 EP disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 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 (4 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-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 KDM4E 2673/4885RXFP1 4100/4885NPSR1 3391/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA KDM4E 4420/4885RXFP1 4342/4885NPSR1 3788/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA KDM4E 4420/4885RXFP1 4342/4885NPSR1 3788/4885
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 KDM4E 2423/4885RXFP1 3539/4885NPSR1 757/4885

“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.