SCHEMBL6046830

SCHEMBL6046830

CCn1c(=O)c2c(C)[nH]nc2c2cc(-c3ccc(CN4CC[C@H](O)C4)s3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.42
PIM1 P11309 4/20 0.39
PIM2 Q9P1W9 4/20 0.39
PIM3 Q86V86 2/20 0.39
PDE5A O76074 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KCNH2 Q12809 2/20 0.37
INSR P06213 1/20 0.35
ITK Q08881 1/20 0.35
PARP1 P09874 1/20 0.34

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
SCHEMBL6046710 0.93 CHEK1 (0.42) CHEK1PIM1PIM2PIM3KCNH2
SCHEMBL6046756 0.87 CHEK1 (0.44) CHEK1KCNH2
SCHEMBL6046709 0.87 CHEK1 (0.44) CHEK1PDE10AKCNH2
SCHEMBL6046867 0.84 CHEK1 (0.43) CHEK1KCNH2
SCHEMBL6046812 0.84 CHEK1 (0.43) CHEK1KCNH2
SCHEMBL6046825 0.84 CHEK1 (0.40) CHEK1PDE10AKCNH2
SCHEMBL6046693 0.83 CHEK1 (0.42) CHEK1PDE10AKCNH2
SCHEMBL6046795 0.83 CHEK1 (0.43) CHEK1KCNH2
SCHEMBL6046771 0.82 CHEK1 (0.47) CHEK1PARP1
SCHEMBL6046764 0.81 CHEK1 (0.53) CHEK1KCNH2

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-20060035920-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-02-16 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-20060035920-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885PIM1 385/4885PIM2 492/4885

“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.