SCHEMBL3586208

SCHEMBL3586208

COc1ccc(CC2CCCC2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
TSHR P16473 1/20 0.42
HSP90AA1 P07900 3/20 0.41
HSP90AB1 P08238 1/20 0.41
RYR2 Q92736 1/20 0.41
HTR1A P08908 4/20 0.41
SLC6A4 P31645 4/20 0.41

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
SCHEMBL3574540 0.98 MTNR1A (0.44) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3575811 0.86 PIK3CG (0.47) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3573588 0.86 RYR2 (0.43) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3577962 0.85 RYR2 (0.49) RYR2HTR1ASLC6A4
SCHEMBL3580606 0.84 PIK3CG (0.42) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3580603 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL14243703 0.82 TSHR (0.56) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL7118345 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL3587135 0.81 PIK3CG (0.52) MEN1KMT2ASMN1; SMN2MTNR1BRYR2
SCHEMBL3582590 0.80 PIK3CG (0.43) RYR2HTR1ASLC6A4EED

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 10 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
CN-101663283-A Quinoxaline compounds and use thereof MERCK SERONO SA 2010-03-03 CN 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 MEN1 927/4885KMT2A 3444/4885ALDH1A1 577/4885

“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.