SCHEMBL3581089

SCHEMBL3581089

COc1cc(N)cc(C(=O)NCCO)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 3/20 0.47
ALDH1A1 P00352 3/20 0.47
RXFP1 Q9HBX9 1/20 0.46
PIK3CG P48736 1/20 0.46
MMP13 P45452 1/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
ACR P10323 1/20 0.44

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
SCHEMBL3579860 0.88 NPC1 (0.58) KDM4EGAANPC1RAB9AMAPT
SCHEMBL13316205 0.88 GAA (0.53) KDM4EGAANPC1RAB9AMAPT
SCHEMBL12178249 0.84 KDM4E (0.55) KDM4EGAANPC1RAB9AMAPT
SCHEMBL4581666 0.84 NTRK2 (0.56) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11335644 0.84 HPGD (0.51) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL16054030 0.83 NPC1 (0.53) KDM4EGAANPC1RAB9AMAPT
SCHEMBL27484020 0.80 ALDH1A1 (0.48) KDM4EGAANPC1RAB9AMAPT
SCHEMBL8437113 0.80 KDM4E (0.71) KDM4EGAANPC1RAB9AMAPT
SCHEMBL2590130 0.79 PLK1 (0.55) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL16150745 0.79 NPC1 (0.52) KDM4EGAANPC1RAB9AMAPT

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 KDM4E 2803/4885GAA 2790/4885NPC1 4792/4885

“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.