SCHEMBL6521909

SCHEMBL6521909

Cc1n[nH]c2c1c(=O)n(CC1CCCN(C(=O)OC(C)(C)C)C1)c1ccc(Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.48
BRD4 O60885 1/20 0.42
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
FPR2 P25090 2/20 0.40
FPR3 P25089 1/20 0.40
PLK1 P53350 1/20 0.39
HTR6 P50406 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KRAS P01116 3/20 0.37
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
USP30 Q70CQ3 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL6521790 0.90 FPR2 (0.42) IDO1TDO2FPR2FPR3PLK1
SCHEMBL6525512 0.79 MAPT (0.51) PLK1CYP2C9KDM4EALDH1A1HSD17B10
SCHEMBL21033691 0.78 FEN1 (0.50) FEN1BRD4FPR2FPR3CYP2C9
SCHEMBL5819554 0.78 FEN1 (0.50) FEN1BRD4FPR2FPR3CYP2C9
SCHEMBL6519279 0.77 SYK (0.43) FEN1BRD4
SCHEMBL6514615 0.76 PIK3R1 (0.41) PLK1ALDH1A1
SCHEMBL5792037 0.75 GHSR (0.55) FEN1BRD4
SCHEMBL20528749 0.75 GHSR (0.55) FEN1BRD4
SCHEMBL5791736 0.75 FEN1 (0.49) FEN1BRD4IDO1TDO2FPR2
SCHEMBL6515396 0.75 PIK3R1 (0.39) PLK1KDM4EALDH1A1

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 FEN1 790/4885BRD4 874/4885IDO1 4419/4885

“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.