SCHEMBL3384223

SCHEMBL3384223

CC(C)(C)OC(=O)NCCCOc1nc(Nc2cccc(F)c2)ncc1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.55
PDPK1 O15530 3/20 0.55
ITK Q08881 4/20 0.52
EGFR P00533 3/20 0.52
SYK P43405 1/20 0.43
MET P08581 1/20 0.42
CNR2 P34972 1/20 0.41
IGF1R P08069 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40

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
SCHEMBL13431857 0.84 TBK1 (0.75) TBK1PDPK1
SCHEMBL13653693 0.84 TBK1 (0.51) TBK1PDPK1EGFRSYKCNR2
SCHEMBL13460187 0.82 TBK1 (0.51) TBK1PDPK1EGFRSYKCNR2
SCHEMBL13432004 0.80 TBK1 (0.51) TBK1PDPK1EGFRSYKCNR2
Hydrochloric Acid SCHEMBL3384212 0.79 TBK1 (0.50) TBK1PDPK1EGFRSYKCNR2
SCHEMBL13432016 0.77 STK17B (0.55) CNR2
SCHEMBL3387851 0.77 TBK1 (0.59) TBK1PDPK1ITKEGFRSYK
SCHEMBL3388237 0.75 TBK1 (0.77) TBK1PDPK1
SCHEMBL13431757 0.74 TBK1 (0.79) TBK1PDPK1
Trifluoroacetic Acid SCHEMBL3387029 0.74 TBK1 (0.72) TBK1PDPK1

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 TBK1 2898/4885PDPK1 2468/4885ITK 1009/4885

“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.