SCHEMBL3580606

SCHEMBL3580606

COc1ccc(CC2CCS(=O)(=O)CC2)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.42
RYR2 Q92736 1/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR1A P08908 7/20 0.37
SLC6A4 P31645 7/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
HTR2C P28335 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL3580603 0.86 ALDH1A1 (0.41) RYR2MEN1ALDH1A1MAPTTHRB
SCHEMBL3586208 0.84 MEN1 (0.43) RYR2MEN1ALDH1A1MAPTTHRB
SCHEMBL3574540 0.82 MTNR1A (0.44) RYR2MEN1ALDH1A1MAPTTHRB
SCHEMBL3577962 0.82 RYR2 (0.49) PIK3CGRYR2HTR1ASLC6A4
SCHEMBL3575811 0.80 PIK3CG (0.47) PIK3CGRYR2MEN1ALDH1A1MAPT
SCHEMBL3573588 0.80 RYR2 (0.43) PIK3CGRYR2MEN1ALDH1A1MAPT
SCHEMBL3587135 0.77 PIK3CG (0.52) PIK3CGRYR2MEN1KMT2AHTR1A
SCHEMBL3582590 0.74 PIK3CG (0.43) PIK3CGRYR2HTR1ASLC6A4
SCHEMBL3577836 0.74 MTNR1A (0.44) PIK3CGGAAMTNR1A
SCHEMBL4852727 0.73 ALDH1A1 (0.55) MEN1ALDH1A1MAPTTHRBKMT2A

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
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
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 PIK3CG 595/4885RYR2 3197/4885MEN1 927/4885

“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.