SCHEMBL2302252

SCHEMBL2302252

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 10/20 1.00
KDM4E B2RXH2 5/20 1.00
ALDH1A1 P00352 5/20 0.78
POLB P06746 2/20 0.78
NPSR1 Q6W5P4 1/20 0.78
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
HTT P42858 2/20 0.74
HPGD P15428 1/20 0.68
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
PIK3CD O00329 1/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
GAA P10253 1/20 0.55

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
SCHEMBL189608 0.88 ALDH1A1 (1.00) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL189044 0.88 RXFP1 (1.00) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL21313680 0.86 RXFP1 (0.74) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL2302031 0.85 ALDH1A1 (0.78) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL2300231 0.85 RXFP1 (1.00) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL2306135 0.85 ALDH1A1 (0.78) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL3576814 0.85 ALDH1A1 (0.78) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL2301679 0.85 RXFP1 (0.83) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL10044530 0.85 RXFP1 (0.73) RXFP1KDM4EALDH1A1POLBNPSR1
SCHEMBL2302089 0.85 RXFP1 (0.73) RXFP1KDM4EALDH1A1POLBNPSR1

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 43 patents — showing the first 20. 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 claimed
CN-101663283-B Quinoxaline compounds and use thereof MERCK SERONO SA 2014-04-09 CN claimed
US-20100137308-A1 Quinoxaline Compounds and Use Thereof MERCK SERONO SA (CH) 2010-06-03 US claimed
CN-101663283-A Quinoxaline compounds and use thereof MERCK SERONO SA 2010-03-03 CN claimed
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-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-8614215-B2 Quinoxaline inhibitors of phosphoinositide-3-kinases (PI3Ks) MERCK SERONO SA (CH) 2013-12-24 US disclosed
EP-2630130-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) 2013-08-28 EP disclosed
CN-103270027-A Process 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 2013-08-28 CN 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
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
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 (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-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 RXFP1 1332/4885KDM4E 2803/4885ALDH1A1 577/4885
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 RXFP1 4100/4885KDM4E 2673/4885ALDH1A1 1531/4885

“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.