SCHEMBL3384234

SCHEMBL3384234

CN(C)C1CCN(C(=O)c2cccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.59
MAP3K7 O43318 2/20 0.54
IRAK4 Q9NWZ3 2/20 0.54
TBK1 Q9UHD2 6/20 0.48
MARK3 P27448 2/20 0.48
MARK4 Q96L34 2/20 0.48
STK17A Q9UEE5 2/20 0.48
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
PTK2 Q05397 4/20 0.46
IGF1R P08069 1/20 0.46
PDPK1 O15530 1/20 0.46
BMPR2 Q13873 1/20 0.46
ULK1 O75385 2/20 0.45
ULK2 Q8IYT8 2/20 0.45
CCNT1 O60563 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL3386206 0.95 NTRK1 (0.54) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3388970 0.95 NTRK1 (0.54) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3384238 0.91 NTRK1 (0.59) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3385940 0.90 MAP3K7 (0.65) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3387435 0.90 TBK1 (0.59) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3384805 0.88 MAP3K7 (0.56) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3388281 0.88 MAP3K7 (0.56) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3388211 0.88 ULK1 (0.49) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3388979 0.86 NTRK1 (0.54) NTRK1MAP3K7IRAK4TBK1MARK3
SCHEMBL3386219 0.86 NTRK1 (0.54) NTRK1MAP3K7IRAK4TBK1MARK3

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 70/4885MAP3K7 310/4885IRAK4 1138/4885

“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.