SCHEMBL6506900

SCHEMBL6506900

COC(C)Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(Cl)cc21

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.68
KCNH2 Q12809 1/20 0.42
PLK1 P53350 4/20 0.40
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
NR1H2 P55055 1/20 0.33
RORB Q92753 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
SCHEMBL6513905 0.87 CHEK1 (0.73) CHEK1KCNH2PLK1RORARORC
SCHEMBL6517718 0.85 CHEK1 (0.77) CHEK1KCNH2PLK1PSEN1PSEN2
SCHEMBL6513681 0.85 CHEK1 (0.70) CHEK1KCNH2PLK1
Hydrochloric Acid SCHEMBL6522382 0.84 CHEK1 (0.76) CHEK1KCNH2PLK1PSEN1PSEN2
SCHEMBL6515401 0.84 CHEK1 (0.69) CHEK1KCNH2PLK1
SCHEMBL6522826 0.84 CHEK1 (0.74) CHEK1KCNH2PLK1RORARORC
SCHEMBL6508600 0.83 CHEK1 (0.74) CHEK1KCNH2PLK1RORARORC
SCHEMBL6519912 0.83 CHEK1 (0.68) CHEK1KCNH2PLK1
SCHEMBL6508971 0.82 CHEK1 (0.76) CHEK1KCNH2PLK1RORARORC
SCHEMBL6529264 0.82 CHEK1 (0.64) CHEK1KCNH2PLK1RORARORC

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.