SCHEMBL3584459

SCHEMBL3584459

COc1ccc(C=C2CC(C)(C)N(C)C(C)(C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 6/20 0.39
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
HTR7 P34969 1/20 0.38
RAB9A P51151 1/20 0.38
TLR9 Q9NR96 1/20 0.38
SNCA P37840 1/20 0.38
GSK3B P49841 1/20 0.37

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
SCHEMBL13349487 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL21321209 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3575583 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3584740 0.80 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2MAPTRECQL
SCHEMBL3582319 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3586175 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3576294 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3576300 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3576296 0.78 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E
SCHEMBL3580185 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2MAPTKDM4E

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 5 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
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
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 ALDH1A1 577/4885MAPK1 2681/4885SMN1; SMN2 3366/4885

“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.