SCHEMBL3579860

SCHEMBL3579860

COCCNC(=O)c1cc(N)cc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL16054030 0.92 NPC1 (0.53) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL3581089 0.88 KDM4E (0.53) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL13316205 0.88 GAA (0.53) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL12178249 0.84 KDM4E (0.55) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL16150745 0.84 NPC1 (0.52) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL89603 0.83 NPC1 (0.59) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL15485079 0.82 MEN1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL57408 0.81 NPC1 (0.57) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL89065 0.81 NPC1 (0.57) NPC1RECQLRAB9AMEN1KMT2A
SCHEMBL16106359 0.80 NPC1 (0.48) NPC1RECQLRAB9AMEN1KMT2A

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 NPC1 4792/4885RECQL 39/4885RAB9A 542/4885

“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.