SCHEMBL6514934

SCHEMBL6514934

COCCc1[nH]nc2c1c(=O)n(CC1CCCNC1)c1ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.43
BRD4 O60885 3/20 0.38
SYK P43405 1/20 0.37
DRD2 P14416 1/20 0.37
NPY1R P25929 1/20 0.37
FEN1 P39748 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
KCNH2 Q12809 1/20 0.35
CREBBP Q92793 2/20 0.34
GHSR Q92847 1/20 0.34

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
SCHEMBL6513244 0.85 CHEK1 (0.60) CHEK1BRD4SYKDRD2FEN1
SCHEMBL6519057 0.79 CHEK1 (0.47) CHEK1DRD2NPY1RMAPK8MAPK9
SCHEMBL6513681 0.77 CHEK1 (0.70) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6521943 0.76 CHEK1 (0.52) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6509246 0.76 CHEK1 (0.55) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6514622 0.76 CHEK1 (0.54) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6521937 0.76 CHEK1 (0.52) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6514619 0.76 CHEK1 (0.52) CHEK1MAPK8MAPK9MAPK10KCNH2
SCHEMBL6510497 0.76 CHEK1 (0.55) CHEK1MAPK8MAPK9MAPK10
SCHEMBL6518538 0.75 CHEK1 (0.67) CHEK1KCNH2

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 3/4885BRD4 874/4885SYK 1199/4885

“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.