SCHEMBL4020796

SCHEMBL4020796

O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Cl)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 14/20 0.48
KDM4E B2RXH2 4/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.44
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
HSPD1 P10809 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL2301249 0.79 PIK3CG (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10044531 0.74 RXFP1 (0.59) RXFP1KDM4ENPSR1ALDH1A1POLB
SCHEMBL2304808 0.74 RXFP1 (0.61) RXFP1KDM4ENPSR1ALDH1A1POLB
SCHEMBL1855714 0.74 CASP3 (0.47) RXFP1KDM4ENPSR1ALDH1A1MEN1
SCHEMBL15180082 0.71 RXFP1 (0.59) RXFP1KDM4ENPSR1ALDH1A1POLB
SCHEMBL2304654 0.71 CA1 (0.54) RXFP1ALDH1A1MEN1KMT2A
SCHEMBL2306031 0.69 RXFP1 (0.59) RXFP1KDM4ENPSR1ALDH1A1POLB
SCHEMBL2303166 0.69 KDM4E (0.62) RXFP1KDM4ENPSR1ALDH1A1POLB
SCHEMBL1856563 0.68 TSHR (0.54) RXFP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10044450 0.67 RXFP1 (0.59) RXFP1KDM4ENPSR1ALDH1A1POLB

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 19 patents. 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-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
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-22 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 US disclosed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 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
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
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 (3 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 RXFP1 4100/4885KDM4E 2673/4885NPSR1 3391/4885
US-20110312960-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA RXFP1 4342/4885KDM4E 4420/4885NPSR1 3788/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA RXFP1 4342/4885KDM4E 4420/4885NPSR1 3788/4885

“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.