SCHEMBL6521790

SCHEMBL6521790

Cc1n[nH]c2c1c(=O)n(CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
PLK1 P53350 2/20 0.40
PIK3CA P42336 2/20 0.40
PRKDC P78527 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3R1 P27986 1/20 0.38
NOTCH1 P46531 3/20 0.38
FPR3 P25089 1/20 0.38
KRAS P01116 2/20 0.37
CNR1 P21554 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL6521909 0.90 FEN1 (0.48) FPR2KDM4EIDO1TDO2PLK1
SCHEMBL6525512 0.84 MAPT (0.51) KDM4EMAPTHTTPLK1PIK3CA
SCHEMBL6522820 0.81 PIK3R1 (0.43) MAPTPLK1PIK3CAPIK3R1
SCHEMBL6514615 0.78 PIK3R1 (0.41) PLK1PIK3CAPIK3R1
SCHEMBL6519279 0.76 SYK (0.43) PIK3CAPIK3R1
SCHEMBL17063385 0.74 FPR2 (0.48) FPR2KDM4EMAPTTHRBPIK3CA
SCHEMBL7712492 0.73 FPR2 (0.49) FPR2KDM4EMAPTTHRBPIK3CA
SCHEMBL24542521 0.72 USP7 (0.49) FPR2KDM4EIDO1TDO2GPR119
SCHEMBL24766312 0.71 DTYMK (0.53) FPR2KDM4EMAPTTHRBIDO1
SCHEMBL1333790 0.71 CNR2 (0.56) CNR1

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 FPR2 4693/4885KDM4E 1251/4885MAPT 3744/4885

“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.