SCHEMBL6517995

SCHEMBL6517995

CCCNCC(O)CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.63
KCNH2 Q12809 2/20 0.38
PLK1 P53350 1/20 0.38
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RCE1 Q9Y256 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
SCHEMBL6511021 0.93 CHEK1 (0.66) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6525309 0.89 CHEK1 (0.68) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6523666 0.87 CHEK1 (0.66) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6510590 0.87 CHEK1 (0.70) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6511246 0.86 CHEK1 (0.73) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6515715 0.82 CHEK1 (0.70) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6523061 0.81 CHEK1 (0.60) CHEK1
SCHEMBL6515081 0.81 CHEK1 (0.74) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6518147 0.81 CHEK1 (0.77) CHEK1KCNH2PLK1AURKAKDR
SCHEMBL6508146 0.81 CHEK1 (0.77) CHEK1KCNH2PLK1AURKAKDR

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.