SCHEMBL3145655

SCHEMBL3145655

CC(C)NC(=O)c1ccc(Nc2ncc(Cl)c(NC3CC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.58
AURKA O14965 2/20 0.57
LRRK2 Q5S007 2/20 0.55
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
PTK2 Q05397 3/20 0.52
AURKB Q96GD4 1/20 0.52
AXL P30530 2/20 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
SCHEMBL1937114 0.85 SYK (0.57) SYKKITFLT3
Hydrochloric Acid SCHEMBL3145550 0.85 SYK (0.54) SYKLRRK2KITFLT3PTK2
SCHEMBL3135192 0.84 SYK (0.56) SYKAURKAKITFLT3
SCHEMBL3150023 0.84 AURKA (0.61) SYKAURKAKITFLT3AURKB
SCHEMBL13300601 0.80 EGFR (0.61) AURKALRRK2PTK2AXL
SCHEMBL3814175 0.78 SYK (0.56) SYKLRRK2
SCHEMBL4281514 0.77 AURKB (0.54) SYKAURKALRRK2AURKB
SCHEMBL578664 0.77 AURKB (0.54) SYKAURKALRRK2AURKB
SCHEMBL3265411 0.77 AURKA (0.52) SYKAURKALRRK2
SCHEMBL3136804 0.76 JAK2 (0.65) SYKAURKALRRK2FLT3PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 SYK 1098/4885AURKA 2466/4885LRRK2 3855/4885

“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.