SCHEMBL6099522

SCHEMBL6099522

CN(C)C(=O)n1cc(C2=CC(=O)NC2=O)c2cc(Br)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.34
DYRK1A Q13627 2/20 0.34
CDK2 P24941 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 1/20 0.33
CDK3 Q00526 1/20 0.33
CDK6 Q00534 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CYP1A2 P05177 1/20 0.32
DYRK3 O43781 1/20 0.32
DYRK2 Q92630 1/20 0.32
LMNA P02545 1/20 0.31
CAMK2D Q13557 1/20 0.31
TGM2 P21980 1/20 0.31

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 0.87 CREBBP (0.38) GSK3BDYRK1ACDK2CCNT1CDK1
SCHEMBL6097471 0.81 DYRK1A (0.53) GSK3BDYRK1ACDK1CCNB1
SCHEMBL6805163 0.71 HTR6 (0.45)
SCHEMBL1614459 0.70 DYRK1A (0.38) DYRK1ADYRK3DYRK2
SCHEMBL12713876 0.70 POLB (0.42) LMNA
SCHEMBL1614118 0.70 KRAS (0.40) LMNADNM1MAPTSMN1; SMN2
SCHEMBL6099557 0.70 KMT2A (0.43) CYP1A2
SCHEMBL6110763 0.67 HTR6 (0.46) GSK3BLMNA
SCHEMBL6111662 0.67 HTR6 (0.45)
SCHEMBL15051612 0.66 TDP2 (0.45) TGM2CES1

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 GSK3B 388/4885DYRK1A 1708/4885CDK2 79/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF GSK3B 371/4885DYRK1A 1847/4885CDK2 76/4885

“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.