SCHEMBL6513798

SCHEMBL6513798

Cc1c2c(=O)n(CCCNC(=O)OC(C)(C)C)c3ccc(N4CCCC4)cc3c2nn1C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
ATR Q13535 4/20 0.42
BRD4 O60885 4/20 0.41
DYRK1A Q13627 1/20 0.36
PLK1 P53350 4/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
DRD2 P14416 1/20 0.33
STING1 Q86WV6 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL6512647 0.89 CNR2 (0.45) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6511907 0.89 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6508889 0.89 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6509760 0.89 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6521803 0.89 PLK1 (0.44) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6511027 0.89 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6518827 0.87 ATR (0.41) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6512999 0.87 ATR (0.42) CNR2ATRBRD4DYRK1APLK1
SCHEMBL6511320 0.87 ATR (0.42) CNR2ATRDYRK1APLK1CCNC
SCHEMBL6506944 0.87 BRD4 (0.41) CNR2ATRBRD4DYRK1APLK1

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 CNR2 3139/4885ATR 717/4885BRD4 874/4885

“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.