SCHEMBL4241293

SCHEMBL4241293

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncn(CC3CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
CISD1 Q9NZ45 1/20 0.37
CDK9 P50750 7/20 0.37
TRPV4 Q9HBA0 2/20 0.36
ENPP2 Q13822 1/20 0.34
DYRK3 O43781 1/20 0.34
CSNK1E P49674 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK4 Q9NR20 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL4241298 1.00 GABRG2 (0.39) GABRG2GABRB3GABRA5HSD17B13CISD1
SCHEMBL4245447 0.91 LMNA (0.38) GABRG2GABRB3GABRA5HSD17B13CISD1
SCHEMBL4245450 0.91 LMNA (0.38) GABRG2GABRB3GABRA5HSD17B13CISD1
SCHEMBL4241244 0.89 LMNA (0.41) CISD1CDK9ENPP2
SCHEMBL4241237 0.89 LMNA (0.41) CISD1CDK9ENPP2
SCHEMBL4241804 0.88 LMNA (0.43) CISD1CDK9ENPP2
SCHEMBL4241802 0.88 LMNA (0.43) CISD1CDK9ENPP2
SCHEMBL4242457 0.84 HDAC1 (0.40) CISD1CDK9ENPP2DYRK3CSNK1E
SCHEMBL4242454 0.84 HDAC1 (0.40) CISD1CDK9ENPP2DYRK3CSNK1E
SCHEMBL4249794 0.84 HDAC1 (0.41) CISD1CDK9ENPP2

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 GABRG2 4780/4885GABRB3 4016/4885GABRA5 4700/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA GABRG2 3604/4885GABRB3 3083/4885GABRA5 3093/4885

“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.