SCHEMBL496984

SCHEMBL496984

C/N=C1\NC(=O)/C(=C\c2ccc3ncnc(N(C)C)c3c2)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.46
CLK1 P49759 3/20 0.46
DYRK1A Q13627 3/20 0.46
DYRK2 Q92630 2/20 0.46
DYRK1B Q9Y463 2/20 0.46
PIK3CD O00329 2/20 0.46
CSNK2A2 P19784 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
MTOR P42345 2/20 0.46
PIK3CG P48736 2/20 0.46
NPC1 O15118 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
GSK3B P49841 3/20 0.45
CLK4 Q9HAZ1 3/20 0.45
CLK2 P49760 2/20 0.45

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
SCHEMBL10093421 1.00 DYRK3 (0.46) DYRK3CLK1DYRK1ADYRK2DYRK1B
SCHEMBL496986 1.00 DYRK3 (0.46) DYRK3CLK1DYRK1ADYRK2DYRK1B
SCHEMBL2882373 0.88 CISD1 (0.60) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL2882375 0.88 CISD1 (0.60) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL12975463 0.88 CISD1 (0.60) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL27719447 0.87 DYRK1A (0.56) DYRK3CLK1DYRK1ADYRK2DYRK1B
SCHEMBL2882012 0.85 PIP4K2A (0.48) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL12975484 0.85 PIP4K2A (0.48) CLK1DYRK1ADYRK2DYRK1BPIK3CD
SCHEMBL496844 0.85 CRHBP (0.56) DYRK3CLK1DYRK1ADYRK2DYRK1B
SCHEMBL2882014 0.85 PIP4K2A (0.48) CLK1DYRK1ADYRK2DYRK1BPIK3CD

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 5 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
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
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 (1 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 DYRK3 1940/4885CLK1 1008/4885DYRK1A 2093/4885

“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.