SCHEMBL6515716

SCHEMBL6515716

COC(=O)CCc1ccc2c(c1)c1nn(C3CCCCO3)c(C)c1c(=O)n2CCCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.39
CNR2 P34972 1/20 0.38
DYRK1A Q13627 1/20 0.36
PLK1 P53350 6/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STING1 Q86WV6 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BRD4 O60885 4/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6514155 0.94 ATR (0.40) ATRCNR2DYRK1APLK1STING1
SCHEMBL6518827 0.92 ATR (0.41) ATRCNR2DYRK1APLK1STING1
SCHEMBL6518580 0.92 ATR (0.40) ATRCNR2DYRK1APLK1STING1
SCHEMBL6508889 0.87 ATR (0.42) ATRCNR2DYRK1APLK1STING1
SCHEMBL6511907 0.87 ATR (0.42) ATRCNR2DYRK1APLK1CYP2D6
SCHEMBL6509760 0.87 ATR (0.42) ATRCNR2DYRK1APLK1STING1
SCHEMBL6521803 0.87 PLK1 (0.44) ATRCNR2DYRK1APLK1ALDH1A1
SCHEMBL6512647 0.87 CNR2 (0.45) ATRCNR2DYRK1APLK1MEN1
SCHEMBL6511027 0.87 ATR (0.42) ATRCNR2DYRK1APLK1BRD4
SCHEMBL6511320 0.85 ATR (0.42) ATRCNR2DYRK1APLK1

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 3139/4885DYRK1A 1079/4885

“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.