SCHEMBL6097471

SCHEMBL6097471

O=C1C=C(c2cn(C(=O)c3ccccc3)c3ccc(Br)cc23)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
HTR6 P50406 4/20 0.41
ELANE P08246 2/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
HSP90AA1 P07900 1/20 0.37
CCNB1 P14635 1/20 0.37
CCR6 P51684 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
GSK3B P49841 2/20 0.36
DNMT1 P26358 1/20 0.35

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
SCHEMBL6100350 0.84 CREBBP (0.38) DYRK1ACCNB2CDK1CCNB1CCNB3
SCHEMBL6099522 0.81 GSK3B (0.34) DYRK1ACDK1CCNB1GSK3B
SCHEMBL6098654 0.71 NPC1 (0.41) HPGD
SCHEMBL6111662 0.70 HTR6 (0.45) HTR6HTR7
SCHEMBL6110763 0.70 HTR6 (0.46) HTR6ALDH1A1KMT2AHTR7GSK3B
SCHEMBL6099560 0.69 HTR6 (0.38) DYRK1AHTR6HTR1AHTR7GSK3B
SCHEMBL7488659 0.69 HTR6 (0.77) DYRK1AHTR6
SCHEMBL6805163 0.68 HTR6 (0.45) HTR6KDM4E
SCHEMBL6972524 0.66 HTR6 (0.77) DYRK1AHTR6ELANEHTR1AHTR1D
SCHEMBL15051612 0.65 TDP2 (0.45) HSP90AA1

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
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 US disclosed
EP-1283836-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS Aegera Therapeutics Inc. (CA) 2003-02-19 EP disclosed
WO-2001087887-A2 NEUROPROTECTIVE AND ANTI-PROLIFERATIVE COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2001-11-22 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 (2 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF DYRK1A 1708/4885HTR6 765/4885ELANE 1838/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF DYRK1A 1847/4885HTR6 883/4885ELANE 1813/4885

“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.