SCHEMBL497117

SCHEMBL497117

CCCN=C1NC(=O)C(=Cc2ccc3c(c2)OCO3)S1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.81
DYRK2 Q92630 7/20 0.65
DYRK1A Q13627 5/20 0.65
DYRK1B Q9Y463 5/20 0.65
DYRK3 O43781 5/20 0.65
PIM1 P11309 5/20 0.65
CSNK2A2 P19784 4/20 0.65
CSNK2B P67870 4/20 0.65
CSNK2A1 P68400 4/20 0.65
CSNK2A3 Q8NEV1 4/20 0.65
CDK5 Q00535 4/20 0.65
CDK5R1 Q15078 4/20 0.65
MAPK9 P45984 1/20 0.60
GSK3B P49841 1/20 0.54
CFTR P13569 1/20 0.53
PTPN1 P18031 6/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL10093420 1.00 CDC25B (0.81) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL4379157 1.00 CDC25B (0.81) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL4370923 0.84 CDC25B (0.67) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL10093411 0.84 CDC25B (0.67) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL10093417 0.82 CDC25B (0.71) CDC25BDYRK2DYRK1ADYRK1BPIM1
SCHEMBL497243 0.82 CDC25B (0.71) CDC25BDYRK2DYRK1ADYRK1BPIM1
SCHEMBL497244 0.82 CDC25B (0.71) CDC25BDYRK2DYRK1ADYRK1BPIM1
SCHEMBL496829 0.81 DYRK1A (0.67) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL497249 0.81 DYRK1A (0.67) CDC25BDYRK2DYRK1ADYRK1BDYRK3
SCHEMBL497247 0.81 DYRK1A (0.67) CDC25BDYRK2DYRK1ADYRK1BDYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648452-B1 2-IMINO-4-(THIO)OXO-5-POLYCYCLOVINYLAZOLINES FOR USE AS PI3 KINASE INHIBITORS MERCK SERONO SA (CH) 2009-07-22 EP claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP claimed
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 claimed
JP-2007500171-A 2007-01-11 JP claimed
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 claimed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO claimed
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 claimed
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
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
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
EP-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP disclosed
WO-2007030360-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2007-03-15 WO 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
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 (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-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 CDC25B 328/4885DYRK2 446/4885DYRK1A 362/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B CDC25B 413/4885DYRK2 1762/4885DYRK1A 2093/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 CDC25B 475/4885DYRK2 1446/4885DYRK1A 1259/4885

“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.