SCHEMBL1560881

SCHEMBL1560881

Cn1cc(-c2cc3c(cn2)[nH]c2ncc(F)c(-c4ccc(NS(C)(=O)=O)cc4)c23)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
ACHE P22303 1/20 0.44
PIM1 P11309 8/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
MAPT P10636 2/20 0.42
MET P08581 1/20 0.41
KCNH2 Q12809 1/20 0.41
TNIK Q9UKE5 1/20 0.41
BRD4 O60885 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAP4K1 Q92918 3/20 0.39
NTRK1 P04629 1/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL474985 0.84 CHEK1 (0.46) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1561128 0.83 MAPK10 (0.46) CHEK1ACHEPIM1METPIM3
SCHEMBL11908677 0.83 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1560005 0.83 DYRK1B (0.43) CDK1CDK5KITAURKB
SCHEMBL11907789 0.83 CHEK1 (0.47) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473714 0.83 MKNK1 (0.46) CHEK1ACHEPIM1CCNCCDK8
SCHEMBL2215377 0.80 CHEK1 (0.41) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL1560490 0.79 MAPT (0.53) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473640 0.78 CHEK1 (0.43) CHEK1ACHEPIM1MAPTMAP4K1
SCHEMBL473810 0.78 CHEK1 (0.42) CHEK1ACHEPIM1MAPTMAP4K1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US claimed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP claimed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 WO claimed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
EP-2303882-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME Sanofi-Aventis (FR) 2011-04-06 EP disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B CHEK1 786/4885ACHE 4362/4885PIM1 2969/4885

“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.