SCHEMBL807233

SCHEMBL807233

COc1cc(N2CCOCC2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
THRB P10828 2/20 0.54
ALDH1A1 P00352 8/20 0.53
MAPT P10636 7/20 0.53
GAA P10253 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 4/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
PTPN1 P18031 1/20 0.49
HIF1A Q16665 2/20 0.49
TGFBR1 P36897 1/20 0.49
ACVR1 Q04771 1/20 0.49
KDM4E B2RXH2 5/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 2/20 0.48

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
SCHEMBL30602381 1.00 MEN1 (0.54) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL15415976 0.91 KMT2A (0.46) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL2498472 0.87 MAPT (0.63) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL23705839 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL19500869 0.85 HIF1A (0.62) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL31091978 0.85 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL807418 0.83 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTPTPN1
SCHEMBL1911848 0.82 MEN1 (0.56) MEN1KMT2ATHRBALDH1A1MAPT
SCHEMBL5528296 0.82 MAPK1 (0.49) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL2384047 0.82 SIRT6 (0.58) MEN1KMT2AALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2024-11-14 US disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 WO disclosed
US-7384943-B2 Substituted chroman derivatives ASTRAZENECA AB (SE) 2008-06-10 US disclosed
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant BERG STEFAN 2006-10-05 US disclosed
US-7056921-B2 Substituted chroman derivatives ASTRAZANECA AB (SE) 2006-06-06 US disclosed
US-20040157857-A1 Substituted chroman derivatives BERG STEFAN (SE) 2004-08-12 US disclosed
US-6670359-B2 Such as (S)-N-(5-(4-Methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzopyran-3-yl)-4 -morpholinobenzamide for treatment of mood/anxiety/eating disorders ASTRAZENECA AB (SE) 2003-12-30 US disclosed
EP-1025095-B1 SUBSTITUTED CHROMAN DERIVATIVES ASTRAZENECA AB (SE) 2003-11-26 EP disclosed
US-20030100556-A1 Substituted chroman derivatives BERG STEFAN (SE) 2003-05-29 US disclosed
US-6479497-B1 COMPOUNDS HAVING A SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXYTRYPTAMINE RECEPTORS, DESIGNATED THE H5-HT1B RECEPTOR ASTRAZENECA AB (SE) 2002-11-12 US 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 (5 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB MEN1 2825/4885KMT2A 4626/4885THRB 4142/4885
US-20030100556-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 MEN1 4766/4885KMT2A 2931/4885THRB 724/4885
US-20240374606-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER PDXK, PGK1, PGK2 MEN1 3627/4885KMT2A 512/4885THRB 3575/4885
US-20060223828-A1 piperidyl- or piperazinyl-substituted dihydro-2H-1-benzopyran derivatives; serotonin h5-HT1B receptor antagonist; regulate the synaptic concentration of serotonin by controlling the amount of 5-HT that is released; anxiolitic, antidepressant HTR2B, HTR2C, HTR2A MEN1 4670/4885KMT2A 2526/4885THRB 271/4885
US-20040157857-A1 Substituted chroman derivatives NR2C2, NR0B1, NR0B2 MEN1 4766/4885KMT2A 2931/4885THRB 724/4885

“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.