SCHEMBL6515396

SCHEMBL6515396

Cc1n[nH]c2c1c(=O)n(CC(C)CNC(=O)OC(C)(C)C)c1ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 6/20 0.39
PIK3CA P42336 6/20 0.39
AAK1 Q2M2I8 4/20 0.38
PCSK9 Q8NBP7 1/20 0.35
LMNA P02545 2/20 0.33
CAMK2D Q13557 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PLK1 P53350 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6514615 0.86 PIK3R1 (0.41) PIK3R1PIK3CACAMK2DNPSR1PLK1
SCHEMBL6522395 0.84 PLK1 (0.45) PIK3R1PIK3CACAMK2DPLK1ALDH1A1
SCHEMBL6506935 0.84 PLK1 (0.44) PIK3R1PIK3CACAMK2DPLK1
SCHEMBL6515579 0.80 PIK3R1 (0.43) PIK3R1PIK3CALMNAHTTNPSR1
SCHEMBL6521790 0.76 FPR2 (0.42) PIK3R1PIK3CAHTTPLK1KDM4E
SCHEMBL6521909 0.75 FEN1 (0.48) PLK1ALDH1A1KDM4E
SCHEMBL6522415 0.74 CHEK1 (0.46) PLK1
SCHEMBL6513337 0.73 PIK3R1 (0.45) PIK3R1PIK3CAHTTALDH1A1SMN1; SMN2
SCHEMBL6507966 0.73 PIM1 (0.45) CAMK2DALDH1A1
SCHEMBL6525512 0.73 MAPT (0.51) PIK3R1PIK3CALMNAHTTNPSR1

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 PIK3R1 439/4885PIK3CA 409/4885AAK1 108/4885

“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.