SCHEMBL6508656

SCHEMBL6508656

Cc1[nH]nc2c1c(=O)n(CCNC(=O)OC(C)(C)C)c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
KDR P35968 1/20 0.53
AURKB Q96GD4 1/20 0.53
CHEK1 O14757 4/20 0.45
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
CNR2 P34972 1/20 0.42
CAMK2D Q13557 2/20 0.42
DRD2 P14416 1/20 0.40
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
BRD4 O60885 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL6515626 0.89 PLK1 (0.49) AURKAKDRAURKBCHEK1PIM1
SCHEMBL6514411 0.89 PLK1 (0.51) AURKAKDRAURKBCHEK1PIM1
SCHEMBL6518373 0.88 AURKA (0.47) AURKAKDRAURKBCHEK1PIM1
SCHEMBL6507966 0.84 PIM1 (0.45) PIM1PIM3CNR2CAMK2DDRD2
SCHEMBL6519106 0.83 CHEK1 (0.52) CHEK1PIM1PIM3CNR2CAMK2D
SCHEMBL6523086 0.82 AURKA (0.57) AURKAKDRAURKBCHEK1ALDH1A1
SCHEMBL6533402 0.81 CHEK1 (0.44) AURKAKDRAURKBCHEK1PIM1
SCHEMBL6508615 0.81 DYRK1A (0.53) CHEK1CNR2DRD2PLK1BRD4
SCHEMBL6521419 0.80 PLK1 (0.43) AURKAKDRAURKBCHEK1PIM1
SCHEMBL6514156 0.80 AURKA (0.50) AURKAKDRAURKBCHEK1ALDH1A1

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 AURKA 78/4885KDR 1094/4885AURKB 24/4885

“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.