SCHEMBL6513056

SCHEMBL6513056

CCOCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.68
KCNH2 Q12809 1/20 0.42
PLK1 P53350 4/20 0.38
APOBEC3G Q9HC16 2/20 0.36
MAPK8 P45983 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GAA P10253 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
NR1H2 P55055 1/20 0.35
RORB Q92753 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL6510737 0.94 CHEK1 (0.67) CHEK1KCNH2PLK1MAPK8GABRA1
SCHEMBL6518261 0.93 CHEK1 (0.66) CHEK1KCNH2PLK1MAPK8GABRA1
SCHEMBL6513681 0.91 CHEK1 (0.70) CHEK1KCNH2PLK1APOBEC3GMAPK8
SCHEMBL6522826 0.89 CHEK1 (0.74) CHEK1KCNH2PLK1MAPK8GABRA1
SCHEMBL6529264 0.89 CHEK1 (0.64) CHEK1KCNH2PLK1MAPK8RORA
SCHEMBL6515401 0.88 CHEK1 (0.69) CHEK1KCNH2PLK1APOBEC3GMAPK8
SCHEMBL6518250 0.88 CHEK1 (0.61) CHEK1KCNH2PLK1MAPK8
SCHEMBL6517718 0.87 CHEK1 (0.77) CHEK1KCNH2PLK1GABRA1GABRG2
SCHEMBL6519912 0.87 CHEK1 (0.68) CHEK1KCNH2PLK1APOBEC3GMAPK8
SCHEMBL6513905 0.87 CHEK1 (0.73) CHEK1KCNH2PLK1MAPK8GABRA1

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.