SCHEMBL4245447

SCHEMBL4245447

O=C1N=C(Nc2c(Cl)cccc2Cl)S/C1=C\c1ccc2ncn(CCC3CC3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CISD1 Q9NZ45 1/20 0.36
ENPP2 Q13822 2/20 0.35
HPGD P15428 8/20 0.35
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
EGFR P00533 1/20 0.33
DYRK3 O43781 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL4245450 1.00 LMNA (0.38) LMNATSHRHTTNPSR1CISD1
SCHEMBL4241244 0.97 LMNA (0.41) LMNATSHRHTTNPSR1CISD1
SCHEMBL4241237 0.97 LMNA (0.41) LMNATSHRHTTNPSR1CISD1
SCHEMBL4241804 0.97 LMNA (0.43) LMNATSHRHTTNPSR1CISD1
SCHEMBL4241802 0.97 LMNA (0.43) LMNATSHRHTTNPSR1CISD1
SCHEMBL4241293 0.91 GABRG2 (0.39) CISD1ENPP2DYRK3CSNK1ECLK1
SCHEMBL4241298 0.91 GABRG2 (0.39) CISD1ENPP2DYRK3CSNK1ECLK1
SCHEMBL4240338 0.91 LMNA (0.39) LMNATSHRHTTNPSR1CISD1
SCHEMBL4240336 0.91 LMNA (0.39) LMNATSHRHTTNPSR1CISD1
SCHEMBL4243845 0.90 LMNA (0.38) LMNATSHRHTTNPSR1CISD1

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 3 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-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 LMNA 1240/4885TSHR 4520/4885HTT 216/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA LMNA 4788/4885TSHR 1457/4885HTT 1811/4885

“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.