SCHEMBL5583029

SCHEMBL5583029

Cn1cc(C2=C(c3cn(CCCSC(=N)N)c4ccccc34)C(=O)N(OS(C)(=O)=O)C2=O)c2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
TP53 P04637 2/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
ALOX15 P16050 2/20 0.72
TSHR P16473 2/20 0.72
MAPK1 P28482 2/20 0.72
RECQL P46063 2/20 0.72
KMT2A Q03164 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
HIPK1 Q86Z02 2/20 0.72
SIRT2 Q8IXJ6 2/20 0.72
SIRT1 Q96EB6 2/20 0.72
HSD17B10 Q99714 2/20 0.72
SIRT3 Q9NTG7 2/20 0.72
TDP1 Q9NUW8 2/20 0.72
CCNT1 O60563 4/20 0.69
CDK9 P50750 4/20 0.69
PRKCB P05771 3/20 0.69
PRKCA P17252 3/20 0.69

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
SCHEMBL8166773 0.97 MEN1 (0.68) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL8161679 0.96 MEN1 (0.67) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL8154380 0.95 MEN1 (0.64) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL8160687 0.88 MEN1 (0.56) MEN1TP53CYP3A4MAPTALOX15
Bisindolylmaleimide Ix SCHEMBL29381390 0.84 MEN1 (1.00) MEN1TP53CYP3A4MAPTALOX15
Bisindolylmaleimide Ix SCHEMBL2491726 0.84 MEN1 (1.00) MEN1TP53CYP3A4MAPTALOX15
Bisindolylmaleimide Ix SCHEMBL1567017 0.82 PRKCA (1.00) MEN1TP53CYP3A4MAPTALOX15
Bisindolylmaleimide Ix SCHEMBL29370657 0.82 PRKCA (1.00) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL8166772 0.81 MEN1 (0.95) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL8161675 0.80 MEN1 (0.93) MEN1TP53CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196514-A1 Prostate cancer treatment with glycogen synthase kinase-3beta inhibitors UNIVERSITY OF KANSAS MEDICAL CENTER 2007-08-23 US claimed
US-20040115801-A1 Model epithelial cell cultures KINETANA GROUP INC. 2004-06-17 US claimed
WO-2004018657-A1 MODEL EPITHELIAL CELL CULTURES KINETANA GROUP INC. (CA) 2004-03-04 WO claimed
US-20200289566-A1 COMPOSITIONS FOR IMPROVING CAR-T CELL FUNCTIONALITY AND USE THEREOF PROSPECT CHARTERCARE RWMC LLC D/B/A ROGER WILLIAMS MEDICAL CENTER (US) 2020-09-17 US disclosed
US-9987280-B2 SIRT1 inhibitors and stem cell rejuvenation CITY OF HOPE (US) 2018-06-05 US disclosed
US-20150044184-A1 SIRT1 INHIBITORS AND STEM CELL REJUVENATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
US-20130059385-A1 METHODS OF GENERATING PLURIPOTENT STEM CELLS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-03-07 US disclosed
US-20070196514-A1 Prostate cancer treatment with glycogen synthase kinase-3beta inhibitors UNIVERSITY OF KANSAS MEDICAL CENTER 2007-08-23 US disclosed
US-20040115801-A1 Model epithelial cell cultures KINETANA GROUP INC. 2004-06-17 US disclosed
US-20040115801-A1 Model epithelial cell cultures KINETANA GROUP INC. 2004-06-17 US disclosed
WO-2004018657-A1 MODEL EPITHELIAL CELL CULTURES KINETANA GROUP INC. (CA) 2004-03-04 WO disclosed
WO-2004018657-A1 MODEL EPITHELIAL CELL CULTURES KINETANA GROUP INC. (CA) 2004-03-04 WO disclosed
US-RE36736-E Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 2000-06-13 US disclosed
US-5057614-A Antiinflammatory, immunology, bronchodilator agents, cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 1991-10-15 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 (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-20150044184-A1 SIRT1 INHIBITORS AND STEM CELL REJUVENATION SIRT1, SIRT2, SIRT3 MEN1 498/4885TP53 177/4885CYP3A4 4158/4885

“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.