SCHEMBL3574540

SCHEMBL3574540

COc1ccc(CC2CCCCC2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ADORA2A P29274 1/20 0.42
HSP90AA1 P07900 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
POLB P06746 1/20 0.41
PLA2G2A P14555 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL3586208 0.98 MEN1 (0.43) MTNR1AMTNR1BMEN1KMT2AADORA2A
SCHEMBL3575811 0.85 PIK3CG (0.47) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3573588 0.85 RYR2 (0.43) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL3577962 0.84 RYR2 (0.49) RYR2HTR1ASLC6A4
SCHEMBL7118345 0.83 ALDH1A1 (0.46) MTNR1AMTNR1BMEN1KMT2AADORA2A
SCHEMBL3580603 0.82 ALDH1A1 (0.41) MTNR1AMEN1KMT2AALDH1A1MAPT
SCHEMBL3580606 0.82 PIK3CG (0.42) MTNR1AMEN1KMT2AALDH1A1MAPT
SCHEMBL14243703 0.81 TSHR (0.56) MEN1KMT2AHSP90AA1ALDH1A1MAPT
SCHEMBL7120309 0.80 MAPT (0.45) MTNR1AMTNR1BMEN1KMT2AADORA2A
SCHEMBL3587135 0.79 PIK3CG (0.52) MTNR1BMEN1KMT2APOLBSMN1; SMN2

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 MTNR1A 1386/4885MTNR1B 992/4885MEN1 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.