SCHEMBL622912

SCHEMBL622912

N=C1NC(=O)/C(=C/c2cc3ccccc3o2)S1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.72
GSK3B P49841 10/20 0.53
GSK3A P49840 8/20 0.53
CDK2 P24941 5/20 0.49
XDH P47989 1/20 0.47
CYP2A6 P11509 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MRE11 P49959 1/20 0.46
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
PDK1 Q15118 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL622913 1.00 PIM1 (0.72) PIM1GSK3BGSK3ACDK2XDH
SCHEMBL1250139 0.86 PIM1 (0.76) PIM1GSK3BCYP2A6MEN1KMT2A
SCHEMBL1250138 0.86 PIM1 (0.76) PIM1GSK3BCYP2A6MEN1KMT2A
SCHEMBL623358 0.84 PIM1 (1.00) PIM1MEN1KMT2APOLBCLK1
SCHEMBL623359 0.84 PIM1 (1.00) PIM1MEN1KMT2APOLBCLK1
SCHEMBL623357 0.84 PIM1 (1.00) PIM1MEN1KMT2APOLBCLK1
SCHEMBL13846899 0.74 XDH (0.51) PIM1GSK3BGSK3ACDK2XDH
SCHEMBL623103 0.73 CDK2 (0.76) GSK3BGSK3ACDK2MEN1KMT2A
SCHEMBL623104 0.73 CDK2 (0.76) GSK3BGSK3ACDK2MEN1KMT2A
SCHEMBL16762221 0.73 XDH (0.53) PIM1GSK3BGSK3ACDK2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 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
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 (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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT PIM1 3392/4885GSK3B 4721/4885GSK3A 4773/4885
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT PIM1 3392/4885GSK3B 4721/4885GSK3A 4773/4885

“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.