SCHEMBL497019

SCHEMBL497019

N=C1NC(=O)/C(=C/c2ccc3c(c2)OCO3)S1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.67
DYRK1B Q9Y463 4/20 0.67
CLK1 P49759 1/20 0.67
CLK2 P49760 1/20 0.67
CLK3 P49761 1/20 0.67
GSK3B P49841 1/20 0.64
CSNK2A2 P19784 3/20 0.61
CSNK2B P67870 3/20 0.61
CSNK2A1 P68400 3/20 0.61
CSNK2A3 Q8NEV1 3/20 0.61
CDC25B P30305 1/20 0.61
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 4/20 0.57
MRE11 P49959 1/20 0.57
MAPK9 P45984 1/20 0.57
HPGD P15428 1/20 0.54
POLB P06746 2/20 0.53

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
SCHEMBL497020 1.00 DYRK1A (0.67) DYRK1ADYRK1BCLK1CLK2CLK3
SCHEMBL2880439 1.00 DYRK1A (0.67) DYRK1ADYRK1BCLK1CLK2CLK3
SCHEMBL29369746 0.87 GSK3B (0.83) DYRK1ADYRK1BGSK3BCSNK2A2CSNK2B
SCHEMBL1249096 0.87 GSK3B (0.83) DYRK1ADYRK1BGSK3BCSNK2A2CSNK2B
SCHEMBL2882197 0.87 GSK3B (0.83) DYRK1ADYRK1BGSK3BCSNK2A2CSNK2B
SCHEMBL1249098 0.87 GSK3B (0.83) DYRK1ADYRK1BGSK3BCSNK2A2CSNK2B
SCHEMBL497530 0.83 CSNK2A2 (0.67) DYRK1ADYRK1BCLK1GSK3BCSNK2A2
SCHEMBL1520306 0.83 CSNK2A2 (0.67) DYRK1ADYRK1BCLK1GSK3BCSNK2A2
SCHEMBL497529 0.83 CSNK2A2 (0.67) DYRK1ADYRK1BCLK1GSK3BCSNK2A2
SCHEMBL8188589 0.80 DYRK1A (1.00) DYRK1ADYRK1BCLK1CLK2CLK3

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 9 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-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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-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-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
US-20040092561-A1 Azolidinone-vinyl fused -benzene derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-05-13 US 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX DYRK1A 3161/4885DYRK1B 2749/4885CLK1 4202/4885
US-20040092561-A1 Azolidinone-vinyl fused -benzene derivatives BRCA1, ZAP70, ZYX DYRK1A 3475/4885DYRK1B 3208/4885CLK1 4099/4885
US-20070021447-A1 2-Imino-4-(thio)oxo-5-poly cyclovinylazolines for use as p13 kinase ihibitors PI4K2B, PI4KA, PTK2B DYRK1A 2093/4885DYRK1B 1813/4885CLK1 1008/4885

“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.