SCHEMBL6511693

SCHEMBL6511693

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
CNR2 P34972 1/20 0.49
DYRK1A Q13627 1/20 0.45
CAMK2D Q13557 3/20 0.44
PLK1 P53350 3/20 0.43
DRD2 P14416 1/20 0.42
BRD4 O60885 3/20 0.41
PDPK1 O15530 1/20 0.40
CCNB2 O95067 1/20 0.40
PRKCB P05771 1/20 0.40
CDK1 P06493 1/20 0.40
LYN P07948 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CCNA1 P78396 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40

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
SCHEMBL6507966 0.94 PIM1 (0.45) PIM1PIM3CNR2DYRK1ACAMK2D
SCHEMBL6522395 0.87 PLK1 (0.45) PIM1PIM3CNR2DYRK1ACAMK2D
SCHEMBL6522415 0.87 CHEK1 (0.46) PIM1PIM3CNR2DYRK1APLK1
SCHEMBL6512484 0.85 HTT (0.43) BRD4
SCHEMBL6506935 0.85 PLK1 (0.44) PIM1PIM3CNR2DYRK1ACAMK2D
SCHEMBL6510553 0.83 PLK1 (0.47) PLK1TDP1
SCHEMBL6523226 0.82 FAAH (0.44) TDP1
SCHEMBL6514615 0.81 PIK3R1 (0.41) PIM1PIM3CNR2DYRK1ACAMK2D
SCHEMBL6515094 0.81 AKT1 (0.56)
SCHEMBL6514411 0.81 PLK1 (0.51) PIM1PIM3CNR2CAMK2DPLK1

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.