SCHEMBL6522835

SCHEMBL6522835

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(C#CCN(C)C)cc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.65
KCNH2 Q12809 2/20 0.53
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PLK1 P53350 1/20 0.36
TBK1 Q9UHD2 1/20 0.33
ITK Q08881 1/20 0.32
PIKFYVE Q9Y2I7 1/20 0.31

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
SCHEMBL6523053 0.91 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514153 0.89 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6513545 0.88 CHEK1 (0.57) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514769 0.88 CHEK1 (0.66) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6046820 0.88 CHEK1 (0.48) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515726 0.88 CHEK1 (0.71) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6522379 0.87 CHEK1 (0.65) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515620 0.85 CHEK1 (0.65) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515303 0.85 CHEK1 (0.62) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514689 0.85 CHEK1 (0.62) CHEK1KCNH2AURKAKDRAURKB

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 3052/4885AURKA 78/4885

“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.