SCHEMBL6517655

SCHEMBL6517655

CC(C)(C)OC(=O)NCCCn1c(=O)c2c(CCCO)n(C3CCCCO3)nc2c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.40
CNR2 P34972 2/20 0.38
NAMPT P43490 1/20 0.37
BRD4 O60885 1/20 0.36
DRD2 P14416 4/20 0.36
CHEK1 O14757 2/20 0.34
PLK1 P53350 2/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA3 P0DMS8 4/20 0.33

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
SCHEMBL6510521 0.97 ATR (0.40) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6515150 0.93 ATR (0.40) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6509005 0.93 ATR (0.41) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6508960 0.92 ATR (0.41) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6514923 0.92 ATR (0.40) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6517699 0.92 ATR (0.39) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6513171 0.91 ATR (0.40) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6515516 0.90 ATR (0.40) ATRCNR2NAMPTBRD4DRD2
SCHEMBL6510810 0.90 ATR (0.38) ATRCNR2BRD4DRD2PLK1
SCHEMBL6511027 0.89 ATR (0.42) ATRCNR2NAMPTBRD4DRD2

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 ATR 717/4885CNR2 3139/4885NAMPT 2197/4885

“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.