SCHEMBL1559944

SCHEMBL1559944

CS(=O)(=O)NCc1cccc(-c2c(F)cnc3[nH]c4cnc(-c5cccnc5)cc4c23)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
WNT1 P04628 7/20 0.45
TGFBR1 P36897 6/20 0.45
CLK2 P49760 7/20 0.42
CLK3 P49761 7/20 0.42
DYRK1A Q13627 7/20 0.42
PIM1 P11309 4/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
CHEK1 O14757 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1561203 0.92 CHEK1 (0.45) AURKAAURKBWNT1TGFBR1CLK2
SCHEMBL1560592 0.85 FYN (0.46) WNT1PIM1PIM3PIM2CHEK1
SCHEMBL1561016 0.84 PIM1 (0.45) WNT1CLK2CLK3DYRK1APIM1
SCHEMBL1980283 0.83 AURKA (0.48) AURKAAURKBWNT1TGFBR1CLK2
SCHEMBL1560941 0.83 PIM1 (0.52) WNT1CLK2CLK3DYRK1APIM1
SCHEMBL1561128 0.82 MAPK10 (0.46) WNT1CLK2CLK3DYRK1APIM1
SCHEMBL1561166 0.81 PIM1 (0.43) WNT1CLK2CLK3DYRK1APIM1
SCHEMBL11929477 0.81 PIM1 (0.54) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL2216006 0.81 PIM1 (0.47) WNT1TGFBR1CLK2CLK3DYRK1A
SCHEMBL1560884 0.80 PIM1 (0.46) WNT1TGFBR1CLK2CLK3DYRK1A

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 AURKA 1445/4885AURKB 821/4885WNT1 2817/4885

“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.