SCHEMBL6515561

SCHEMBL6515561

CNCCCn1c(=O)c2c(CCCCOC)[nH]nc2c2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.53
TDP1 Q9NUW8 1/20 0.39
PLK1 P53350 3/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
WEE1 P30291 5/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6509246 0.95 CHEK1 (0.55) CHEK1TDP1PLK1MAPK8MAPK9
SCHEMBL6519912 0.89 CHEK1 (0.68) CHEK1PLK1MAPK8MAPK9MAPK10
SCHEMBL6515401 0.86 CHEK1 (0.69) CHEK1PLK1MAPK8MAPK9MAPK10
SCHEMBL6508662 0.86 CHEK1 (0.59) CHEK1TDP1PLK1WEE1CDK1
SCHEMBL6515566 0.85 CHEK1 (0.52) CHEK1TDP1PLK1MAPK8MAPK9
SCHEMBL6518814 0.84 CHEK1 (0.44) CHEK1PLK1WEE1KDM4EALDH1A1
SCHEMBL6510497 0.84 CHEK1 (0.55) CHEK1PLK1MAPK8MAPK9MAPK10
SCHEMBL6513681 0.83 CHEK1 (0.70) CHEK1PLK1MAPK8MAPK9MAPK10
SCHEMBL6513516 0.82 CHEK1 (0.77) CHEK1TDP1PLK1WEE1CDK1
SCHEMBL6514622 0.78 CHEK1 (0.54) CHEK1PLK1MAPK8MAPK9MAPK10

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 3/4885TDP1 868/4885PLK1 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.