SCHEMBL3584398

SCHEMBL3584398

COc1ccc(CC2CCSCC2)c(NC(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.45
MTNR1B P49286 9/20 0.45
NQO2 P16083 6/20 0.45
PIK3CG P48736 3/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL3577834 0.86 MTNR1A (0.44) MTNR1AMTNR1BNQO2PIK3CGTSHR
SCHEMBL3577836 0.86 MTNR1A (0.44) MTNR1AMTNR1BNQO2PIK3CGTSHR
SCHEMBL3573588 0.72 RYR2 (0.43) PIK3CGGAA
SCHEMBL7308049 0.71 TSHR (0.51) MTNR1AMTNR1BNQO2TSHRNPSR1
SCHEMBL14409902 0.71 GAA (0.51) MTNR1AMTNR1BNQO2TSHRNPSR1
SCHEMBL29785065 0.71 TSHR (0.74) TSHRNPSR1LMNAGAA
SCHEMBL2552734 0.71 TSHR (0.74) TSHRNPSR1LMNAGAA
SCHEMBL2130017 0.70 NPSR1 (0.50) MTNR1AMTNR1BNQO2TSHRNPSR1
SCHEMBL29977195 0.69 ALDH1A1 (0.51) MTNR1AMTNR1BNQO2TSHRNPSR1
SCHEMBL29679686 0.69 NPSR1 (0.55) MTNR1AMTNR1BNQO2TSHRNPSR1

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 9 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
EP-2118076-A1 QUINOXALINE COMPOUNDS AND USE THEREOF Merck Serono S.A. (CH) 2009-11-18 EP 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

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 MTNR1A 1386/4885MTNR1B 992/4885NQO2 5/4885

“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.