SCHEMBL5023669

SCHEMBL5023669

Cc1ccc(Cn2c(=O)sn(C)c2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.73
GSK3B P49841 5/20 0.73
CCNB2 O95067 1/20 0.73
CDK1 P06493 1/20 0.73
CCNB1 P14635 1/20 0.73
CCNB3 Q8WWL7 1/20 0.73
RGS4 P49798 14/20 0.67
RGS8 P57771 13/20 0.67
RGS16 O15492 1/20 0.58
RGS19 P49795 1/20 0.58
PRKCA P17252 1/20 0.47

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
SCHEMBL5023665 0.86 GSK3B (0.73) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL18802339 0.85 GSK3B (0.71) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL6429448 0.85 GSK3B (0.71) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL139834 0.84 GSK3B (1.00) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL13517889 0.83 RGS4 (0.88) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL6427057 0.81 GSK3A (0.65) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL13516931 0.80 RGS4 (1.00) RGS4RGS8RGS16RGS19
SCHEMBL29239064 0.80 RGS4 (0.75) GSK3AGSK3BRGS4RGS8RGS16
SCHEMBL13517418 0.78 RGS4 (0.78) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL2107221 0.78 RGS4 (1.00) GSK3AGSK3BCCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029997-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2018-07-24 US disclosed
US-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS-SINAI MEDICAL CENTER (US) 2017-05-04 US disclosed
WO-2012065065-A9 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-10-11 WO disclosed
WO-2012065065-A1 METHODS AND COMPOSITIONS FOR MODULATING HAIR GROWTH, WOUND HEALING AND SCAR REVISION FOLLICA, INC. (US) 2012-05-18 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-20170121297-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS GSK3B, HDAC1, HDAC3 GSK3A 4/4885GSK3B 1/4885CCNB2 2237/4885
US-10029997-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B GSK3A 7/4885GSK3B 3/4885CCNB2 2006/4885

“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.