SCHEMBL623104

SCHEMBL623104

N=C1NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)S1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.76
PIK3CG P48736 2/20 0.76
GSK3B P49841 11/20 0.74
GSK3A P49840 7/20 0.74
MEN1 O00255 1/20 0.70
POLB P06746 1/20 0.70
BLM P54132 1/20 0.70
KMT2A Q03164 1/20 0.70
PDK1 Q15118 1/20 0.70
NR2E3 Q9Y5X4 1/20 0.70
CDC25B P30305 1/20 0.62
IGF1R P08069 2/20 0.57
PIK3CA P42336 1/20 0.57

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
SCHEMBL623103 1.00 CDK2 (0.76) CDK2PIK3CGGSK3BGSK3AMEN1
SCHEMBL13479541 0.87 CDK2 (0.72) CDK2PIK3CGGSK3BGSK3AMEN1
SCHEMBL21067321 0.86 CDK2 (1.00) CDK2PIK3CGGSK3BGSK3AMEN1
SCHEMBL1064039 0.86 PIK3CG (1.00) CDK2PIK3CGMEN1POLBBLM
SCHEMBL1064036 0.86 PIK3CG (1.00) CDK2PIK3CGMEN1POLBBLM
SCHEMBL4200323 0.86 PIK3CG (1.00) CDK2PIK3CGMEN1POLBBLM
SCHEMBL10118546 0.85 GSK3B (1.00) CDK2GSK3BGSK3AMEN1POLB
SCHEMBL622714 0.85 GSK3B (0.76) CDK2PIK3CGGSK3BGSK3AMEN1
SCHEMBL622715 0.85 GSK3B (0.76) CDK2PIK3CGGSK3BGSK3AMEN1
SCHEMBL15315396 0.85 GSK3B (0.76) CDK2PIK3CGGSK3BGSK3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT CDK2 960/4885PIK3CG 3728/4885GSK3B 4721/4885

“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.