SCHEMBL6514871

SCHEMBL6514871

COCCc1[nH]nc2c1c(=O)n(CCCN)c1ccc(F)cc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.54
PLK1 P53350 12/20 0.47
KCNH2 Q12809 1/20 0.44
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL6519038 0.89 CHEK1 (0.57) CHEK1PLK1KCNH2MEN1KMT2A
SCHEMBL6513681 0.89 CHEK1 (0.70) CHEK1PLK1KCNH2ALDH1A1KDM4E
SCHEMBL6513184 0.86 CHEK1 (0.50) CHEK1PLK1KCNH2MEN1KMT2A
SCHEMBL6523201 0.86 CHEK1 (0.52) CHEK1PLK1KCNH2PIK3R1PIK3CA
SCHEMBL6521294 0.84 CHEK1 (0.50) CHEK1PLK1KCNH2MEN1KMT2A
SCHEMBL6515401 0.84 CHEK1 (0.69) CHEK1PLK1KCNH2ALDH1A1KDM4E
SCHEMBL6519912 0.83 CHEK1 (0.68) CHEK1PLK1KCNH2ALDH1A1KDM4E
SCHEMBL6518189 0.83 CHEK1 (0.77) CHEK1PLK1KCNH2ALDH1A1LMNA
SCHEMBL6514012 0.80 CHEK1 (0.45) CHEK1PLK1KCNH2ALDH1A1KDM4E
SCHEMBL6513056 0.79 CHEK1 (0.68) CHEK1PLK1KCNH2ALDH1A1KDM4E

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 3/4885PLK1 151/4885KCNH2 3052/4885

“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.