SCHEMBL4243934

SCHEMBL4243934

CN(C)CCn1cnc2ccc(C=C3SC(Nc4ccccc4)=NC3=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
DYRK3 O43781 3/20 0.34
ALOX5 P09917 1/20 0.34
AURKA O14965 1/20 0.34
PIM1 P11309 2/20 0.33
BRD4 O60885 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK2 Q92630 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
ATM Q13315 2/20 0.33
CISD1 Q9NZ45 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 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
SCHEMBL4243927 1.00 EGFR (0.40) EGFRHTR6POLBPRKCBPRKCA
SCHEMBL4245895 0.88 HTR6 (0.42) EGFRHTR6POLBDYRK3ALOX5
SCHEMBL4245898 0.88 HTR6 (0.42) EGFRHTR6POLBDYRK3ALOX5
SCHEMBL4237292 0.87 HTR6 (0.44) EGFRHTR6POLBDYRK3ALOX5
SCHEMBL4237297 0.87 HTR6 (0.44) EGFRHTR6POLBDYRK3ALOX5
SCHEMBL4246413 0.84 MAP2K1 (0.42) EGFRHTR6DYRK3ALOX5PIM1
SCHEMBL4246417 0.84 MAP2K1 (0.42) EGFRHTR6DYRK3ALOX5PIM1
SCHEMBL4238059 0.83 POLB (0.38) POLBDYRK3ALOX5GSK3BHDAC1
SCHEMBL4238064 0.83 POLB (0.38) POLBDYRK3ALOX5GSK3BHDAC1
SCHEMBL4241880 0.80 CISD1 (0.36) HTR6POLBALOX5PIM1PIM3

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 6 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
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 EGFR 3886/4885HTR6 3737/4885POLB 3279/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA EGFR 1285/4885HTR6 1179/4885POLB 3951/4885

“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.