SCHEMBL3386219

SCHEMBL3386219

CN(C)[C@@H]1CCN(C(=O)c2cccc(Nc3ncc(C4CC4)c(NCCCN)n3)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.54
TBK1 Q9UHD2 8/20 0.50
MARK3 P27448 2/20 0.50
MARK4 Q96L34 2/20 0.50
STK17A Q9UEE5 2/20 0.50
MAP3K7 O43318 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
PDPK1 O15530 1/20 0.48
ULK1 O75385 4/20 0.48
ULK2 Q8IYT8 4/20 0.48
PDK1 Q15118 2/20 0.48
ATR Q13535 1/20 0.47
PTK2 Q05397 3/20 0.46
NUAK1 O60285 1/20 0.46
PRKAA2 P54646 1/20 0.46
SIK1 P57059 1/20 0.46
PRKAA1 Q13131 1/20 0.46
IKBKE Q14164 1/20 0.46
MELK Q14680 1/20 0.46
MARK2 Q7KZI7 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
SCHEMBL3388979 1.00 NTRK1 (0.54) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL3384238 0.95 NTRK1 (0.59) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL3386206 0.91 NTRK1 (0.54) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL3388970 0.91 NTRK1 (0.54) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL13431876 0.89 TBK1 (0.67) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13431878 0.89 TBK1 (0.67) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13432373 0.89 TBK1 (0.67) TBK1MARK3MARK4STK17APDPK1
SCHEMBL3385947 0.87 MAP3K7 (0.63) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL3387443 0.87 TBK1 (0.63) NTRK1TBK1MARK3MARK4STK17A
SCHEMBL3384234 0.86 NTRK1 (0.59) NTRK1TBK1MARK3MARK4STK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US 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 NTRK1 70/4885TBK1 2898/4885MARK3 1239/4885

“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.