SCHEMBL3384644

SCHEMBL3384644

CN1CCN(c2ccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.63
TBK1 Q9UHD2 3/20 0.57
CDK2 P24941 1/20 0.57
MARK3 P27448 1/20 0.57
IKBKE Q14164 1/20 0.57
BRSK2 Q8IWQ3 1/20 0.57
AURKB Q96GD4 1/20 0.57
MKNK1 Q9BUB5 1/20 0.57
STAT6 P42226 1/20 0.56
BRD4 O60885 3/20 0.54
ULK1 O75385 3/20 0.53
ULK2 Q8IYT8 3/20 0.53
MAP3K7 O43318 2/20 0.53
MAPK1 P28482 1/20 0.53
MAP2K1 Q02750 1/20 0.53

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
SCHEMBL3387719 0.90 TBK1 (0.70) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3389178 0.90 TBK1 (0.59) SYKTBK1CDK2MARK3BRD4
SCHEMBL3389438 0.89 TBK1 (0.58) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3385828 0.88 TBK1 (0.70) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3383911 0.88 TBK1 (0.71) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3384653 0.86 STK17A (0.60) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3385878 0.85 ULK1 (0.70) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3384590 0.84 ULK1 (0.74) SYKTBK1CDK2MARK3IKBKE
SCHEMBL3386277 0.84 TBK1 (0.61) SYKTBK1CDK2MARK3IKBKE
SCHEMBL13431953 0.83 TBK1 (0.83) TBK1CDK2MARK3IKBKEBRSK2

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 SYK 627/4885TBK1 2898/4885CDK2 393/4885

“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.