SCHEMBL4240663

SCHEMBL4240663

CC(C)(C)CCn1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 2/20 0.39
CISD1 Q9NZ45 1/20 0.38
ENPP2 Q13822 2/20 0.35
ALOX5 P09917 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.33
NR1I2 O75469 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CDK9 P50750 1/20 0.32
DYRK3 O43781 1/20 0.32
CSNK1E P49674 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32

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
SCHEMBL4240664 1.00 HSD17B13 (0.39) HSD17B13CISD1ENPP2ALOX5MEN1
SCHEMBL4248165 0.91 HSD17B13 (0.41) HSD17B13CISD1ENPP2ALOX5MEN1
SCHEMBL4248162 0.91 HSD17B13 (0.41) HSD17B13CISD1ENPP2ALOX5MEN1
SCHEMBL4237297 0.88 HTR6 (0.44) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4237292 0.88 HTR6 (0.44) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4245450 0.87 LMNA (0.38) HSD17B13CISD1ENPP2HTR6PIM1
SCHEMBL4245447 0.87 LMNA (0.38) HSD17B13CISD1ENPP2HTR6PIM1
SCHEMBL4241371 0.87 CISD1 (0.38) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4241373 0.87 CISD1 (0.38) CISD1ENPP2ALOX5MEN1KMT2A
SCHEMBL4241237 0.86 LMNA (0.41) CISD1ENPP2CDK9

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US claimed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US claimed
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HSD17B13 1098/4885CISD1 2650/4885ENPP2 1265/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HSD17B13 3021/4885CISD1 4327/4885ENPP2 562/4885

“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.