SCHEMBL1561329

SCHEMBL1561329

Cn1ncc(-c2cc3c(cn2)[nH]c2ncc(F)cc23)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.37
ACHE P22303 10/20 0.36
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34
PDGFRB P09619 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
FLT1 P17948 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 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
SCHEMBL1560913 0.86 PIM1 (0.41) CHEK1ACHEPIM1MAPK14MAPT
SCHEMBL473684 0.76 CHEK1 (0.58) CHEK1ACHENTRK1PIM1FLT3
SCHEMBL1560598 0.74 CHEK1 (0.35) CHEK1ACHEALK
SCHEMBL1560556 0.73 CHEK1 (0.37) CHEK1ACHECLK2GSK3BMAPT
SCHEMBL1561167 0.70 WNT1 (0.41) CHEK1PIM1CDK9MAPTWNT1
SCHEMBL1560904 0.69 IRAK4 (0.38) CHEK1KDRGSK3AGSK3BCDK5
SCHEMBL2216275 0.69 PIM1 (0.46) CHEK1ACHEPIM1CLK2MAPT
SCHEMBL1560465 0.68 PIM1 (0.44) CHEK1ACHEABL1PIM1MAPT
SCHEMBL473757 0.68 GABRA1 (0.50) CHEK1ACHE
SCHEMBL473696 0.68 CHEK1 (0.48) CHEK1

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 6 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
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 4362/4885AURKA 1445/4885

“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.