SCHEMBL12435882

SCHEMBL12435882

COc1cnc2[nH]c3cnc(-c4cnn(CCCCN)c4)cc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 0.43
CHEK1 O14757 1/20 0.42
ACHE P22303 1/20 0.42
FGFR3 P22607 11/20 0.39
FGFR1 P11362 10/20 0.39
KDR P35968 10/20 0.39
FGFR2 P21802 9/20 0.39
FGFR4 P22455 9/20 0.39
MAPT P10636 2/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL1559873 0.99 PIM1 (0.42) PIM1CHEK1ACHEFGFR3FGFR1
SCHEMBL1559826 0.86 PIM1 (0.43) PIM1CHEK1ACHEFGFR3FGFR1
SCHEMBL1561074 0.85 PIM1 (0.39) PIM1CHEK1ACHEFGFR3FGFR1
SCHEMBL1561286 0.82 CHEK1 (0.56) PIM1CHEK1ACHEFGFR3MAPT
SCHEMBL12435884 0.82 DYRK1A (0.38) PIM1CHEK1ACHE
SCHEMBL12435877 0.81 DYRK1A (0.38) PIM1CHEK1ACHEFGFR1
SCHEMBL1559896 0.78 CHEK1 (0.46) PIM1CHEK1ACHE
SCHEMBL2214981 0.78 PIM1 (0.37) PIM1CHEK1ACHEFGFR3FGFR1
SCHEMBL1561134 0.75 PAICS (0.40) PIM1CHEK1ACHEFGFR3FGFR1
SCHEMBL1561400 0.70 CHEK1 (0.60) PIM1CHEK1ACHEMAPT

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 3 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 disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US 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 PIM1 2969/4885CHEK1 786/4885ACHE 4362/4885

“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.