SCHEMBL6515516

SCHEMBL6515516

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.40
CNR2 P34972 2/20 0.38
DRD2 P14416 4/20 0.36
BRD4 O60885 1/20 0.35
NAMPT P43490 1/20 0.35
CHEK1 O14757 2/20 0.34
PLK1 P53350 2/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 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
SCHEMBL6508960 0.92 ATR (0.41) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6510521 0.91 ATR (0.40) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6517655 0.90 ATR (0.40) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6509005 0.90 ATR (0.41) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6511027 0.89 ATR (0.42) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6514923 0.89 ATR (0.40) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6511723 0.89 ATR (0.39) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6515150 0.89 ATR (0.40) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6517699 0.89 ATR (0.39) ATRCNR2DRD2BRD4NAMPT
SCHEMBL6513171 0.89 ATR (0.40) ATRCNR2DRD2BRD4NAMPT

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 2 patents. 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
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 3139/4885DRD2 4864/4885

“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.