SCHEMBL3576845

SCHEMBL3576845

COc1ccc(C(C)(C)O)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TDP1 Q9NUW8 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
THRB P10828 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
SCN2A Q99250 1/20 0.39

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
SCHEMBL3378902 0.86 ALDH1A1 (0.50) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL19251044 0.86 ALDH1A1 (0.53) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL9115762 0.80 CA12 (0.54) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL9385964 0.80 ALDH1A1 (0.52) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL898070 0.80 CA1 (0.39) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL9117899 0.80 GAA (0.41) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL531512 0.78 KIF11 (0.47) ALDH1A1GAACA1CA2CA12
SCHEMBL5958765 0.77 ALDH1A1 (0.48) ALDH1A1TDP1MEN1MAPTTHRB
SCHEMBL18430725 0.76 ALDH1A1 (0.57) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL1494105 0.76 ALDH1A1 (0.57) ALDH1A1TDP1MEN1MAPTTHRB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239012-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2025-02-25 US disclosed
US-20240049590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-02-08 US disclosed
US-11700765-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-11 US disclosed
US-11081659-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2021-08-03 US disclosed
US-20200295281-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-09-17 US disclosed
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-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-07-11 US 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 (7 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-20200295281-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, L1CAM, MCM2 ALDH1A1 445/4885TDP1 3158/4885MEN1 858/4885
US-12239012-B2 Organic electroluminescent materials and devices SOD1, OR10J3, L1CAM ALDH1A1 1348/4885TDP1 2449/4885MEN1 1811/4885
US-20100137308-A1 Quinoxaline Compounds and Use Thereof PFKP, PDXK, PF4 ALDH1A1 577/4885TDP1 1561/4885MEN1 927/4885
US-20240049590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, OR10J3, L1CAM ALDH1A1 1348/4885TDP1 2449/4885MEN1 1811/4885
US-20190214584-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, L1CAM, MCM2 ALDH1A1 445/4885TDP1 3158/4885MEN1 858/4885
US-11700765-B2 Organic electroluminescent materials and devices SOD1, L1CAM, MCM2 ALDH1A1 445/4885TDP1 3158/4885MEN1 858/4885
US-11081659-B2 Organic electroluminescent materials and devices SOD1, L1CAM, MCM2 ALDH1A1 445/4885TDP1 3158/4885MEN1 858/4885

“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.