SCHEMBL994027

SCHEMBL994027

CCCOc1cccc(Nc2ncc(C3CCC3)c(N)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.45
EGFR P00533 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNA1 P78396 1/20 0.41
DHFR P00374 1/20 0.40
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
PRKCD Q05655 1/20 0.39
ROCK1 Q13464 1/20 0.39
DYRK1A Q13627 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL1935605 0.80 CDK2 (0.42) SYKEGFRCCNA2CDK2CDK5
SCHEMBL1935232 0.79 CDK2 (0.45) SYKEGFRCCNA2CDK2CDK5
SCHEMBL1935341 0.78 TBK1 (0.38) SYKEGFRCCNA2CDK2CDK5
SCHEMBL24805876 0.77 CCNA2 (0.51) SYKCCNA2CDK2CDK5CDK5R1
SCHEMBL24806559 0.76 CCNA2 (0.53) SYKCCNA2CDK2CDK5CDK5R1
SCHEMBL3818817 0.76 IGF1R (0.52) SYKEGFRBTK
SCHEMBL24805873 0.75 CYP1A2 (0.45) SYKEGFRCCNA2CDK2CDK5
SCHEMBL1937021 0.74 SYK (0.44) SYKEGFRPRKACA
SCHEMBL1773861 0.73 CCNA2 (0.49) SYKEGFRCCNA2CDK2CCNA1
SCHEMBL24805027 0.73 MERTK (0.45) SYKCCNA2CDK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP 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-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 SYK 2846/4885EGFR 3584/4885CCNA2 280/4885

“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.