Sugi Predict

Sugi Predict / Compounds / SCHEMBL2993909

SCHEMBL2993909

SCHEMBL2993909

CNc1ccc2cc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 1/20 0.39
▸ ALOX5 P09917 9/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ DYRK3 O43781 2/20 0.38
▸ ENPP2 Q13822 1/20 0.36
▸ XDH P47989 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CLK1 P49759 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ DYRK2 Q92630 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ DYRK1B Q9Y463 2/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ SRC P12931 2/20 0.33
▸ LCK P06239 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
SCHEMBL2993913 1.00 CISD1 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL4585999 1.00 CISD1 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2996292 0.89 ALOX5 (0.40) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2996287 0.89 ALOX5 (0.40) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2995792 0.89 DYRK3 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2995795 0.89 DYRK3 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2990603 0.87 CISD1 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2990600 0.87 CISD1 (0.39) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2992614 0.86 ALOX5 (0.44) CISD1ALOX5MEN1KMT2ADYRK3
SCHEMBL2996639 0.86 CISD1 (0.40) CISD1ALOX5MEN1KMT2ADYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US claimed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US 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
EP-1993537-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 — — EP disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
WO-2007103756-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — 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 CISD1 4327/4885ALOX5 2146/4885MEN1 2870/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 CISD1 3112/4885ALOX5 4155/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885ALOX5 2869/4885MEN1 37/4885

“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.