SCHEMBL6514957

SCHEMBL6514957

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.56
KCNH2 Q12809 1/20 0.45
PLK1 P53350 3/20 0.38
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
PGR P06401 3/20 0.32
RORA P35398 2/20 0.32
RORC P51449 2/20 0.32
RORB Q92753 2/20 0.32
MYLK Q15746 1/20 0.31
NPC1 O15118 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
SCHEMBL6518668 0.88 CHEK1 (0.43) CHEK1KCNH2PLK1GABRG2GABRB3
SCHEMBL6514026 0.88 CHEK1 (0.72) CHEK1KCNH2PLK1GABRG2GABRB3
SCHEMBL6523201 0.88 CHEK1 (0.52) CHEK1KCNH2PLK1GABRG2GABRB3
SCHEMBL6517718 0.85 CHEK1 (0.77) CHEK1KCNH2PLK1GABRG2GABRB3
Hydrochloric Acid SCHEMBL6522382 0.84 CHEK1 (0.76) CHEK1KCNH2PLK1GABRG2GABRB3
SCHEMBL6516378 0.83 CHEK1 (0.49) CHEK1KCNH2PLK1
SCHEMBL6507515 0.78 CHEK1 (0.72) CHEK1KCNH2PLK1
SCHEMBL6523111 0.78 CHEK1 (0.51) CHEK1KCNH2PGRRORARORC
SCHEMBL6522826 0.77 CHEK1 (0.74) CHEK1KCNH2PLK1GABRG2GABRB3
SCHEMBL6515726 0.77 CHEK1 (0.71) CHEK1KCNH2PLK1

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 3052/4885PLK1 151/4885

“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.