SCHEMBL6238615

SCHEMBL6238615

CC(C)(C)c1nc(-c2ccc(C#N)cc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.69
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
CDC25C P30307 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
VCP P55072 1/20 0.48
KIF11 P52732 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
AR P10275 1/20 0.47
MAOA P21397 8/20 0.46
MAOB P27338 8/20 0.46
KDM4E B2RXH2 3/20 0.46
CFTR P13569 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL12293153 0.82 CYP1A1 (0.47) GAARECQLCYP1A1CYP1B1
SCHEMBL204007 0.81 GAA (1.00) GAACDC25ACDC25BCDC25CMEN1
SCHEMBL12282550 0.81 RAB9A (0.54) GAAMEN1MAPTKMT2AAR
SCHEMBL19625332 0.78 RAB9A (0.58) MEN1MAPTKMT2ATDP1AR
SCHEMBL12282347 0.78 LTA4H (0.58) GAAMEN1MAPTKMT2ARECQL
SCHEMBL799889 0.78 RAB9A (0.56) GAAMEN1MAPTKMT2ATDP1
SCHEMBL19625300 0.78 RAB9A (0.56) GAAMEN1MAPTKMT2ARECQL
SCHEMBL19625353 0.78 ATP4A (0.49) GAAMEN1MAPTKMT2ARECQL
SCHEMBL533851 0.78 GAA (0.40) GAAMEN1MAPTKMT2ARECQL
SCHEMBL26014382 0.78 RAB9A (0.58) MEN1MAPTKMT2ATDP1AR

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-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 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 (3 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885CDC25A 3229/4885CDC25B 3454/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 GAA 4553/4885CDC25A 3229/4885CDC25B 3454/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B GAA 27/4885CDC25A 3510/4885CDC25B 3313/4885

“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.