SCHEMBL5044822

SCHEMBL5044822

CC(C)Nc1cnc(C(N)=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.51
SIRT6 Q8N6T7 2/20 0.47
MAPK1 P28482 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
NNMT P40261 3/20 0.39
PCSK9 Q8NBP7 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
GSK3B P49841 1/20 0.35
ERN1 O75460 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34

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
SCHEMBL30482996 1.00 HCAR3 (0.51) HCAR3SIRT6MAPK1ADORA3TSHR
SCHEMBL30802800 0.79 NNMT (0.55) HCAR3SIRT6ADORA3TSHRMC4R
SCHEMBL4253812 0.77 SIRT6 (0.53) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2635320 0.76 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6469017 0.75 HCAR3 (0.45) HCAR3SIRT6ADRA1APCSK9HCAR2
Formic Acid SCHEMBL30802801 0.74 NNMT (0.49) HCAR3SIRT6ADORA3TSHRMC4R
SCHEMBL16799770 0.74 HCAR3 (0.73) HCAR3NNMTHCAR2
SCHEMBL6469190 0.74 MAPK1 (0.43) HCAR3MAPK1ADORA3TSHRMC4R
Hydrochloric Acid SCHEMBL27917292 0.73 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL5044824 0.72 HCAR3 (0.43) HCAR3GSK3BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP claimed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO 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 748/4885SIRT6 750/4885MAPK1 4024/4885

“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.