SCHEMBL3383920

SCHEMBL3383920

CN1CCN(C(=O)c2ccc(Nc3ncc(C4CC4)c(NCCCN)n3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.77
ULK1 O75385 3/20 0.56
ULK2 Q8IYT8 3/20 0.56
IGF1R P08069 1/20 0.54
NTRK1 P04629 1/20 0.51
CDK2 P24941 4/20 0.50
MARK3 P27448 2/20 0.50
IKBKE Q14164 2/20 0.50
BRSK2 Q8IWQ3 2/20 0.50
AURKB Q96GD4 2/20 0.50
MKNK1 Q9BUB5 2/20 0.50
SYK P43405 2/20 0.50
CHEK1 O14757 1/20 0.50
FLT3 P36888 1/20 0.50
BRD4 O60885 2/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CCNT1 O60563 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK9 P50750 1/20 0.49

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
SCHEMBL3387443 0.90 TBK1 (0.63) TBK1ULK1ULK2IGF1RNTRK1
SCHEMBL3383911 0.90 TBK1 (0.71) TBK1ULK1ULK2IGF1RNTRK1
SCHEMBL3384244 0.90 TBK1 (0.62) TBK1ULK1ULK2NTRK1CDK2
SCHEMBL13431954 0.87 TBK1 (1.00) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3384653 0.84 STK17A (0.60) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3385833 0.83 TBK1 (0.71) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3387242 0.82 ULK1 (0.54) TBK1ULK1ULK2IGF1RNTRK1
SCHEMBL3385947 0.82 MAP3K7 (0.63) TBK1ULK1ULK2NTRK1CDK2
SCHEMBL3387768 0.81 TBK1 (0.55) TBK1ULK1ULK2CDK2MARK3
SCHEMBL3389450 0.81 TBK1 (0.58) TBK1ULK1ULK2CDK2MARK3

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 TBK1 2898/4885ULK1 2369/4885ULK2 1695/4885

“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.