SCHEMBL6506944

SCHEMBL6506944

Cc1c2c(=O)n(CCCNC(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc3c2nn1C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.41
ATR Q13535 3/20 0.40
CNR2 P34972 1/20 0.39
DYRK1A Q13627 1/20 0.35
DRD2 P14416 1/20 0.35
PLK1 P53350 4/20 0.34
PKM P14618 1/20 0.34
PARG Q86W56 1/20 0.33
STING1 Q86WV6 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SCARB1 Q8WTV0 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 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
SCHEMBL6528385 0.91 ATR (0.39) BRD4ATRCNR2DYRK1ADRD2
SCHEMBL6521803 0.89 PLK1 (0.44) BRD4ATRCNR2DYRK1APLK1
SCHEMBL6511027 0.89 ATR (0.42) BRD4ATRCNR2DYRK1ADRD2
SCHEMBL6508889 0.89 ATR (0.42) BRD4ATRCNR2DYRK1APLK1
SCHEMBL6511907 0.89 ATR (0.42) BRD4ATRCNR2DYRK1APLK1
SCHEMBL6512647 0.89 CNR2 (0.45) BRD4ATRCNR2DYRK1APLK1
SCHEMBL6509760 0.89 ATR (0.42) BRD4ATRCNR2DYRK1APLK1
SCHEMBL6518827 0.87 ATR (0.41) BRD4ATRCNR2DYRK1ADRD2
SCHEMBL6511320 0.87 ATR (0.42) ATRCNR2DYRK1ADRD2PLK1
SCHEMBL6513798 0.87 CNR2 (0.42) BRD4ATRCNR2DYRK1ADRD2

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 BRD4 874/4885ATR 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.