SCHEMBL6507966

SCHEMBL6507966

Cc1n[nH]c2c1c(=O)n(CCNC(=O)OC(C)(C)C)c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
CNR2 P34972 1/20 0.42
DRD2 P14416 1/20 0.40
CAMK2D Q13557 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
BRD4 O60885 3/20 0.39
PARP1 P09874 1/20 0.39
DYRK1A Q13627 1/20 0.38

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
SCHEMBL6511693 0.94 PIM1 (0.49) PIM1PIM3CNR2DRD2CAMK2D
SCHEMBL6514615 0.87 PIK3R1 (0.41) PIM1PIM3CNR2CAMK2DALDH1A1
SCHEMBL6515094 0.86 AKT1 (0.56)
SCHEMBL6508656 0.84 AURKA (0.53) PIM1PIM3CNR2DRD2CAMK2D
SCHEMBL6522395 0.82 PLK1 (0.45) PIM1PIM3CNR2CAMK2DALDH1A1
SCHEMBL6522415 0.82 CHEK1 (0.46) PIM1PIM3CNR2DRD2BRD4
SCHEMBL6506935 0.81 PLK1 (0.44) PIM1PIM3CNR2DRD2CAMK2D
SCHEMBL6512484 0.79 HTT (0.43) BRD4
SCHEMBL6518602 0.79 AURKA (0.41) ALDH1A1
SCHEMBL6514357 0.77 ALDH1A1 (0.44) ALDH1A1

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 PIM1 385/4885PIM3 609/4885CNR2 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.