SCHEMBL1935341

SCHEMBL1935341

CC[S+]([O-])c1cccc(Nc2ncc(C3CCC3)c(N)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.38
PDPK1 O15530 1/20 0.38
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
SYK P43405 3/20 0.37
NTRK1 P04629 2/20 0.36
IKBKE Q14164 2/20 0.36
BMPR2 Q13873 1/20 0.36
MARK3 P27448 2/20 0.35
MARK4 Q96L34 2/20 0.35
STK17A Q9UEE5 2/20 0.35
NUAK1 O60285 1/20 0.35
ULK1 O75385 1/20 0.35
PRKAA2 P54646 1/20 0.35
SIK1 P57059 1/20 0.35
PRKAA1 Q13131 1/20 0.35
MELK Q14680 1/20 0.35
PDK1 Q15118 1/20 0.35
MARK2 Q7KZI7 1/20 0.35
ULK2 Q8IYT8 1/20 0.35

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 0.79 CDK2 (0.42) TBK1PDPK1CDK5CDK5R1SYK
SCHEMBL994027 0.78 SYK (0.45) CDK5CDK5R1SYKEGFRCDK2
SCHEMBL1935232 0.78 CDK2 (0.45) TBK1PDPK1CDK5CDK5R1SYK
SCHEMBL2509244 0.76 CTSC (0.48) SYKNTRK1
SCHEMBL1937021 0.73 SYK (0.44) TBK1PDPK1SYKNTRK1IKBKE
SCHEMBL1773861 0.73 CCNA2 (0.49) TBK1PDPK1SYKNTRK1IKBKE
SCHEMBL1934514 0.71 SYK (0.37) TBK1PDPK1CDK5CDK5R1SYK
SCHEMBL24805489 0.71 CDK5 (0.48) TBK1CDK5CDK5R1NTRK1IKBKE
SCHEMBL2507666 0.70 RAB9A (0.39) TBK1SYKULK1ULK2CDK2
SCHEMBL1935695 0.69 SYK (0.39) TBK1PDPK1CDK5CDK5R1SYK

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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331512-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 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-20110245284-A1 Alkoxy- and Alkylthio-Substituted Anilinopyrimidines HAX1, AGPS, PYM1 TBK1 1405/4885PDPK1 2500/4885CDK5 1982/4885

“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.