SCHEMBL3388022

SCHEMBL3388022

NC(=O)CCNc1nc(Nc2cccc(C(F)(F)F)c2)ncc1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.54
PDPK1 O15530 1/20 0.54
SYK P43405 7/20 0.54
ZAP70 P43403 2/20 0.54
CAMK1D Q8IU85 1/20 0.54
PRKCE Q02156 1/20 0.53
BTK Q06187 1/20 0.53
ITK Q08881 1/20 0.53
AURKA O14965 3/20 0.51
MARK3 P27448 2/20 0.48
MARK4 Q96L34 2/20 0.48
STK17A Q9UEE5 2/20 0.48
ULK1 O75385 2/20 0.47
ULK2 Q8IYT8 2/20 0.47
CTSC P53634 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NUAK1 O60285 1/20 0.46

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
SCHEMBL3383879 0.88 TBK1 (0.69) TBK1PDPK1SYKMARK3MARK4
SCHEMBL3386107 0.88 TBK1 (0.56) TBK1PDPK1SYKMARK3MARK4
Trifluoroacetic Acid SCHEMBL3388234 0.86 TBK1 (0.63) TBK1PDPK1MARK3MARK4STK17A
Trifluoroacetic Acid SCHEMBL3384247 0.86 TBK1 (0.52) TBK1PDPK1SYKAURKAMARK3
Trifluoroacetic Acid SCHEMBL3386285 0.86 TBK1 (0.51) TBK1PDPK1SYKAURKAMARK3
SCHEMBL3389588 0.86 TBK1 (0.54) TBK1PDPK1SYKMARK3MARK4
SCHEMBL3389513 0.86 TBK1 (0.54) TBK1PDPK1SYKMARK3MARK4
SCHEMBL3388028 0.86 SYK (0.59) TBK1PDPK1SYKZAP70CAMK1D
SCHEMBL3389484 0.85 TBK1 (0.55) TBK1PDPK1SYKZAP70MARK3
SCHEMBL3384474 0.85 ULK1 (0.54) TBK1PDPK1SYKMARK3MARK4

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-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

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 2468/4885SYK 627/4885

“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.