SCHEMBL2995795

SCHEMBL2995795

O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1ccc2nc(Cl)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 3/20 0.39
CISD1 Q9NZ45 1/20 0.39
ALOX5 P09917 9/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
XDH P47989 1/20 0.36
POLB P06746 1/20 0.36
ENPP2 Q13822 1/20 0.35
CLK1 P49759 2/20 0.35
CLK3 P49761 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
GSK3B P49841 2/20 0.35
CSNK1E P49674 1/20 0.35
CLK2 P49760 1/20 0.35
DYRK4 Q9NR20 1/20 0.35
PIM1 P11309 2/20 0.34
PIK3CD O00329 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
SCHEMBL2995792 1.00 DYRK3 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2996292 0.89 ALOX5 (0.40) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2996287 0.89 ALOX5 (0.40) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2993913 0.89 CISD1 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL4585999 0.89 CISD1 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2993909 0.89 CISD1 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2990603 0.88 CISD1 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2990600 0.88 CISD1 (0.39) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2992614 0.87 ALOX5 (0.44) DYRK3CISD1ALOX5MEN1KMT2A
SCHEMBL2996639 0.87 CISD1 (0.40) DYRK3CISD1ALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (3 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-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA DYRK3 1357/4885CISD1 4327/4885ALOX5 2146/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 DYRK3 1471/4885CISD1 3112/4885ALOX5 4155/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DYRK3 3748/4885CISD1 3370/4885ALOX5 2869/4885

“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.