SCHEMBL6521937

SCHEMBL6521937

COCCc1[nH]nc2c1c(=O)n(CC(C)CN)c1ccc(Cl)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 8/20 0.52
MAPK8 P45983 2/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
PLK1 P53350 3/20 0.36
KCNH2 Q12809 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
PTGER4 P35408 1/20 0.31
TBXAS1 P24557 1/20 0.31

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
SCHEMBL6521943 1.00 CHEK1 (0.52) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6514619 1.00 CHEK1 (0.52) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6514622 0.85 CHEK1 (0.54) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6513681 0.85 CHEK1 (0.70) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6509676 0.83 CHEK1 (0.73) CHEK1PLK1KCNH2CYP1A2CYP3A4
SCHEMBL6518282 0.83 CHEK1 (0.73) CHEK1PLK1KCNH2CYP1A2CYP3A4
SCHEMBL6509674 0.83 CHEK1 (0.73) CHEK1PLK1KCNH2CYP1A2CYP3A4
SCHEMBL6515401 0.80 CHEK1 (0.69) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6519912 0.80 CHEK1 (0.68) CHEK1MAPK8MAPK9MAPK10PLK1
SCHEMBL6510497 0.80 CHEK1 (0.55) CHEK1MAPK8MAPK9MAPK10PLK1

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 1 patent. 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

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 3/4885MAPK8 391/4885MAPK9 284/4885

“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.