SCHEMBL5042271

SCHEMBL5042271

CCNc1cncc(C(N)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
TSHR P16473 1/20 0.39
MC4R P32245 1/20 0.39
ADRA1A P35348 1/20 0.39
MC3R P41968 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TTK P33981 1/20 0.34
DGAT1 O75907 4/20 0.34
GRM5 P41594 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL6469123 0.85 HCAR3 (0.46) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL6468902 0.79 FYN (0.46) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL6469190 0.76 MAPK1 (0.43) HCAR3ADORA3TSHRMC4RADRA1A
SCHEMBL15650342 0.76 KCNH2 (0.49) HCAR3GRM5MAPK8LMNA
SCHEMBL7109264 0.74 TSHR (0.56) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL4996727 0.74 RAF1 (0.56) HCAR3MKNK1MKNK2
SCHEMBL19596388 0.73 HTT (0.33) HCAR3GAATTKPDPK1CTSA
SCHEMBL22792330 0.73 RECQL (0.55) MEN1GAAKMT2AL3MBTL1
SCHEMBL7573577 0.73 ADORA3 (0.42) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL5042272 0.72 SCN9A (0.41) HCAR3ADRA2AADRA2BADRA2C

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 HCAR3 748/4885ADORA3 92/4885TSHR 1417/4885

“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.