SCHEMBL2328646

SCHEMBL2328646

Cc1cc(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.65
CLK2 P49760 1/20 0.65
DYRK1A Q13627 1/20 0.65
CLK4 Q9HAZ1 1/20 0.65
DYRK1B Q9Y463 1/20 0.65
MTOR P42345 1/20 0.63
SMG1 Q96Q15 1/20 0.63
AURKA O14965 2/20 0.62
CDK2 P24941 3/20 0.59
CDK4 P11802 1/20 0.59
GSK3B P49841 6/20 0.58
FLT1 P17948 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
IDH2 P48735 2/20 0.53
TDO2 P48775 1/20 0.53
THRB P10828 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CG P48736 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
SCHEMBL27116471 0.87 CLK1 (0.66) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4901590 0.86 ABL1 (0.67) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL4892529 0.86 CLK1 (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL2331086 0.84 PIK3CG (0.70) DYRK1ASMG1CDK2FLT1FLT4
SCHEMBL2322043 0.84 PIK3CG (0.70) DYRK1ASMG1CDK2FLT1FLT4
SCHEMBL14088796 0.83 AURKA (0.72) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL25336406 0.83 CAMK2D (0.69) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL30554563 0.83 CAMK2D (0.69) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL27115596 0.83 SYK (0.65) CLK1CLK2DYRK1ACLK4DYRK1B
SCHEMBL3514514 0.83 AURKA (0.62) CLK1CLK2DYRK1ACLK4DYRK1B

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-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US claimed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN claimed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP claimed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 WO claimed
US-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
CN-102216286-A Substituted (pyridyl)-azinylamine derivatives as plant protection agents BAYER CROPSCIENCE SA 2011-10-12 CN disclosed
EP-2356102-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-08-17 EP disclosed
WO-2010055114-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE SA (FR) 2010-05-20 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-20110294810-A1 SUBSTITUTED (PYRIDYL)-AZINYLAMINE DERIVATIVES AS PLANT PROTECTION AGENTS PRXL2A, AZI2, PIR CLK1 4109/4885CLK2 3757/4885DYRK1A 1285/4885

“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.