SCHEMBL497004

SCHEMBL497004

CSC1=NC(=O)C(=Cc2ccc3ncccc3c2)S1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
PIK3CD O00329 2/20 0.56
CSNK2A2 P19784 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CG P48736 2/20 0.56
CLK1 P49759 2/20 0.56
CSNK2B P67870 2/20 0.56
CSNK2A1 P68400 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
PIM1 P11309 1/20 0.56
CLK3 P49761 1/20 0.56
HASPIN Q8TF76 1/20 0.56
MYLK2 Q9H1R3 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
STK17A Q9UEE5 1/20 0.56
KMT2A Q03164 2/20 0.54

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
SCHEMBL4944702 1.00 MAPT (0.56) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL497003 1.00 MAPT (0.56) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL496962 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL4951540 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL496964 0.85 MAPT (0.62) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL3865325 0.82 MAPT (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL3865324 0.82 MAPT (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL4871523 0.82 PIK3CD (0.55) MAPTALDH1A1PIK3CDCSNK2A2PIK3CA
SCHEMBL2983639 0.80 PIK3CD (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2
SCHEMBL2983644 0.80 PIK3CD (0.55) MAPTALDH1A1GAAPIK3CDCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106214-B2 2-imino-4-(thio) oxo-5-polycyclovinylazolines for use as PI3 kinase inhibitors MERCK SERONO SA (CH) 2012-01-31 US disclosed
US-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-01-25 US disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO disclosed
EP-1648452-A1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2006-04-26 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2005011686-A1 2-IMINO-4-(THIO) OXO-5-POLY CYCLOVINYLAZOLINES FOR USE AS P13 KINASE IHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-02-10 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 (4 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-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA MAPT 2228/4885ALDH1A1 1198/4885GAA 2041/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B MAPT 3683/4885ALDH1A1 1794/4885GAA 4819/4885
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 MAPT 2496/4885ALDH1A1 3777/4885GAA 3945/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 MAPT 1880/4885ALDH1A1 4089/4885GAA 244/4885

“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.