SCHEMBL3584387

SCHEMBL3584387

COc1ccc(CCCSC)c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.41
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NR1I2 O75469 1/20 0.36
F10 P00742 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL3580006 0.84 PIK3CG (0.45) PIK3CGALDH1A1POLBMTNR1AMTNR1B
SCHEMBL13316203 0.83 PIK3CG (0.46) PIK3CGSMN1; SMN2POLBKMT2A
SCHEMBL14628609 0.80 KMT2A (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL17233418 0.80 KMT2A (0.41) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL7963161 0.79 KMT2A (0.40) ALDH1A1HPGDSMN1; SMN2POLBMAPT
SCHEMBL4568014 0.78 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2POLBMAPT
SCHEMBL8924801 0.78 MTNR1A (0.43) ALDH1A1HPGDKDM4ELMNASMN1; SMN2
SCHEMBL4568377 0.77 KMT2A (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL4568024 0.77 ABCB1 (0.39) ALDH1A1HPGDKDM4ETHRBSMN1; SMN2
SCHEMBL5241843 0.77 AKR1C3 (0.48) ALDH1A1KDM4ESMN1; SMN2MTNR1AMTNR1B

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 595/4885ALDH1A1 577/4885HPGD 489/4885

“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.