SCHEMBL12868091

SCHEMBL12868091

c1cncc(-c2ccc3[nH]c4c(c3c2)CNC4)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
TLR8 Q9NR97 4/20 0.48
TLR7 Q9NYK1 4/20 0.48
TLR9 Q9NR96 2/20 0.48
DYRK1A Q13627 11/20 0.46
CLK3 P49761 4/20 0.46
WNT1 P04628 5/20 0.45
CLK2 P49760 4/20 0.45
NR4A2 P43354 1/20 0.44
PIM1 P11309 2/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43

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
Hydrochloric Acid SCHEMBL32663525 0.87 SIRT2 (0.65) SIRT2TLR8TLR7TLR9DYRK1A
SCHEMBL10155122 0.86 SIRT2 (0.57) SIRT2TLR8TLR7TLR9DYRK1A
SCHEMBL12868082 0.83 SIRT2 (0.57) SIRT2JAK2
SCHEMBL16284624 0.79 TLR8 (0.59) TLR8TLR7TLR9DYRK1ACLK3
SCHEMBL12868058 0.78 SIRT2 (0.54) SIRT2TLR8TLR7TLR9DYRK1A
SCHEMBL29216254 0.74 TLR8 (0.57) TLR8TLR7TLR9DYRK1ACLK3
SCHEMBL12868196 0.73 ACHE (0.50) DYRK1AWNT1GSK3B
SCHEMBL31117568 0.72 CDK4 (0.52) KDR
SCHEMBL12868022 0.72 LMNA (0.53) SIRT2TLR8TLR7TLR9DYRK1A
SCHEMBL25245320 0.72 KDM4E (0.55) TLR8TLR7TLR9NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
US-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF IVASHCHENKO ANDREY ALEXANDROVICH 2011-02-24 US disclosed
EP-2184064-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2010-05-12 EP disclosed
WO-2008060190-A2 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-05-22 WO disclosed
WO-2008026965-A1 SUBSTITUTED PYRROLO[4,3-B]INDOLES, COMBINATORIAL AND FOCUSED LIBRARIES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2008-03-06 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-20110046368-A1 LIGANDS OF 5-HT6 RECEPTORS, A PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF HTR6, HTR1A, HTR3B SIRT2 2289/4885TLR8 873/4885TLR7 311/4885

“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.