SCHEMBL2386671

SCHEMBL2386671

Cc1[c]cn(C2CCNCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
TLR8 Q9NR97 11/20 0.36
TLR7 Q9NYK1 4/20 0.36
TLR9 Q9NR96 3/20 0.36
TLR4 O00206 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 2/20 0.33
PLAT P00750 2/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL15229358 0.87
SCHEMBL18114287 0.81 HTR2A (0.30) HTR2C
SCHEMBL28822055 0.79 LRRK2 (0.33)
SCHEMBL2388695 0.77 PLAT (0.34) CHRNB2CHRNA4TLR8TLR7TLR9
SCHEMBL12179263 0.69 GABRA1 (0.46) CHRNB2CHRNA4TLR8TLR7TLR9
SCHEMBL16399909 0.69 CHRNB2 (0.38) CHRNB2CHRNA4TLR8TLR7TLR9
SCHEMBL1425947 0.69 CHRNB2 (0.41) CHRNB2CHRNA4TLR8TLR7TLR9
Hydrochloric Acid SCHEMBL27195359 0.68 CHRNB2 (0.38) CHRNB2CHRNA4TLR8TLR7TLR9
SCHEMBL592596 0.67 MEN1 (0.39) CHRNB2CHRNA4MEN1ALDH1A1MAPT
SCHEMBL23178439 0.67 TLR8 (0.44) CHRNB2CHRNA4TLR8TLR7TLR9

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
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 CHRNB2 3559/4885CHRNA4 2783/4885TLR8 3143/4885

“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.