SCHEMBL6523201

SCHEMBL6523201

C#Cc1ccc2c(c1)c1n[nH]c(CCOC)c1c(=O)n2CCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.52
KCNH2 Q12809 1/20 0.42
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
PLK1 P53350 3/20 0.35
GAA P10253 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6514957 0.88 CHEK1 (0.56) CHEK1KCNH2GABRG2GABRB3GABRA5
SCHEMBL6519038 0.87 CHEK1 (0.57) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6514871 0.86 CHEK1 (0.54) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6513681 0.86 CHEK1 (0.70) CHEK1KCNH2PLK1KDM4EALDH1A1
SCHEMBL6514012 0.84 CHEK1 (0.45) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6514026 0.84 CHEK1 (0.72) CHEK1KCNH2GABRG2GABRB3GABRA5
SCHEMBL6513184 0.84 CHEK1 (0.50) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6521294 0.82 CHEK1 (0.50) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6515401 0.81 CHEK1 (0.69) CHEK1KCNH2PLK1GAAKDM4E
SCHEMBL6519912 0.81 CHEK1 (0.68) CHEK1KCNH2PLK1GAAKDM4E

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 CHEK1 3/4885KCNH2 3052/4885GABRG2 4807/4885

“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.