SCHEMBL5042272

SCHEMBL5042272

CCNc1cncc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
SCN5A Q14524 8/20 0.41
KCNH2 Q12809 6/20 0.41
CDK2 P24941 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
TLR8 Q9NR97 2/20 0.36
PIK3CD O00329 1/20 0.34
PIP5K1C O60331 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
HCAR3 P49019 1/20 0.33
CACNA1C Q13936 1/20 0.33
NCF1 P14598 1/20 0.32

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
SCHEMBL6469127 0.84 TLR8 (0.53) SCN9ASCN5AKCNH2CDK2TLR8
SCHEMBL3193118 0.82 TLR8 (0.47) SCN9ASCN5AKCNH2TLR8HCAR3
SCHEMBL3186741 0.81 TLR8 (0.46) TLR8HCAR3
SCHEMBL13101043 0.78 KDM4E (0.47) SCN9ASCN5AKCNH2CDK2
SCHEMBL12497287 0.77 GRM5 (0.35) SCN5AKCNH2ADRA2AADRA2BADRA2C
SCHEMBL13101041 0.76 HRH3 (0.46) SCN9ASCN5AKCNH2CDK2TLR8
SCHEMBL13159701 0.76
SCHEMBL6468910 0.75 FYN (0.51) SCN9ASCN5AKCNH2CDK2HCAR3
SCHEMBL3183903 0.75 HCAR3 (0.38) SCN9ASCN5AKCNH2CDK2HCAR3
SCHEMBL21827821 0.72 KDM4E (0.46) SCN9ASCN5AKCNH2CDK2

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SCN9A 666/4885SCN5A 1919/4885KCNH2 2412/4885

“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.