SCHEMBL6508715

SCHEMBL6508715

Cc1c2c(=O)n(C[C@H](C)CNC(=O)OC(C)(C)C)c3ccc(F)cc3c2nn1C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.36
PLK1 P53350 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CNR2 P34972 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PER2 O15055 2/20 0.33
EEF2K O00418 1/20 0.32
PCSK9 Q8NBP7 1/20 0.32
CRY2 Q49AN0 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
SCHEMBL6508718 1.00 ATR (0.36) ATRPLK1RXFP1CNR2PTGDR2
SCHEMBL6508712 1.00 ATR (0.36) ATRPLK1RXFP1CNR2PTGDR2
SCHEMBL6521803 0.87 PLK1 (0.44) ATRPLK1CNR2KDM4EALDH1A1
SCHEMBL6508752 0.79 HTR2C (0.37) PLK1RXFP1CNR2PTGDR2KDM4E
SCHEMBL6511027 0.78 ATR (0.42) ATRPLK1CNR2
SCHEMBL6510585 0.78 ATR (0.37) ATRCNR2ALDH1A1
SCHEMBL6509760 0.78 ATR (0.42) ATRPLK1CNR2
SCHEMBL6511907 0.78 ATR (0.42) ATRPLK1CNR2
SCHEMBL6512647 0.78 CNR2 (0.45) ATRPLK1CNR2
SCHEMBL6508889 0.78 ATR (0.42) ATRPLK1CNR2

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 717/4885PLK1 151/4885RXFP1 3989/4885

“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.