SCHEMBL6521803

SCHEMBL6521803

Cc1c2c(=O)n(CCCNC(=O)OC(C)(C)C)c3ccc(F)cc3c2nn1C1CCCCO1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.44
ATR Q13535 3/20 0.42
CNR2 P34972 2/20 0.40
BRD4 O60885 1/20 0.38
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6511027 0.91 ATR (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6511907 0.91 ATR (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6512647 0.91 CNR2 (0.45) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6509760 0.91 ATR (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6508889 0.91 ATR (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6511320 0.89 ATR (0.42) PLK1ATRCNR2DYRK1A
SCHEMBL6512999 0.89 ATR (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6518827 0.89 ATR (0.41) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6513798 0.89 CNR2 (0.42) PLK1ATRCNR2BRD4DYRK1A
SCHEMBL6506944 0.89 BRD4 (0.41) PLK1ATRCNR2BRD4DYRK1A

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 PLK1 151/4885ATR 717/4885CNR2 3139/4885

“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.