SCHEMBL6510837

SCHEMBL6510837

Cc1[nH]nc2c1c(=O)n(CCC1CCCCN1C(=O)OC(C)(C)C)c1ccc(Cl)cc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.54
KCNH2 Q12809 2/20 0.42
ALOX5AP P20292 2/20 0.39
ALDH1A1 P00352 1/20 0.37
PLK1 P53350 1/20 0.37
CHEK2 O96017 1/20 0.37
CNR1 P21554 1/20 0.37
AHCY P23526 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL6510992 0.82 ALOX5AP (0.36) CHEK1ALOX5APALDH1A1CHEK2CNR1
SCHEMBL6518740 0.76 CHEK1 (0.64) CHEK1KCNH2PLK1LMNA
SCHEMBL6509605 0.76 CHEK1 (0.64) CHEK1KCNH2PLK1LMNA
SCHEMBL6508589 0.72 CHEK1 (0.77) CHEK1KCNH2PLK1
SCHEMBL6517703 0.70 CHEK1 (1.00) CHEK1KCNH2PLK1
SCHEMBL6516695 0.70 CHEK1 (0.58) CHEK1KCNH2
Hydrochloric Acid SCHEMBL6507705 0.69 CHEK1 (0.98) CHEK1KCNH2PLK1
SCHEMBL6518149 0.69 CHEK1 (1.00) CHEK1KCNH2PLK1
SCHEMBL6515407 0.69 CHEK1 (0.71) CHEK1KCNH2PLK1
SCHEMBL6513819 0.69 CHEK1 (0.71) CHEK1KCNH2ALDH1A1PLK1MEN1

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 3052/4885ALOX5AP 4865/4885

“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.