SCHEMBL496964

SCHEMBL496964

CSC1=NC(=O)C(=Cc2ccc3nccnc3c2)S1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 6/20 0.62
GAA P10253 2/20 0.62
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
CLK1 P49759 3/20 0.56
DYRK1A Q13627 3/20 0.56
DYRK2 Q92630 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
PIK3CD O00329 2/20 0.56
CSNK2A2 P19784 2/20 0.56
PIK3CA P42336 2/20 0.56
PIK3CB P42338 2/20 0.56
MTOR P42345 2/20 0.56
PIK3CG P48736 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
MAOB P27338 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56

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
SCHEMBL4951540 1.00 MAPT (0.62) MAPTALDH1A1GAAMYCMAX
SCHEMBL496962 1.00 MAPT (0.62) MAPTALDH1A1GAAMYCMAX
SCHEMBL4944702 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL497003 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL497004 0.85 MAPT (0.56) MAPTALDH1A1GAAMYCMAX
SCHEMBL14437313 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL5503992 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL5503991 0.79 MYC (0.53) MAPTALDH1A1GAAMYCMAX
SCHEMBL3865325 0.79 MAPT (0.55) MAPTALDH1A1GAAMYCMAX
SCHEMBL3865324 0.79 MAPT (0.55) MAPTALDH1A1GAAMYCMAX

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 8 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-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-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
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 (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-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-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.