SCHEMBL5042293

SCHEMBL5042293

CC(C)CCN(C)Cc1cnc(C(N)=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.40
PRMT1 Q99873 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HTT P42858 1/20 0.32
NAMPT P43490 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL5037386 0.81 SIRT6 (0.41) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL5042295 0.80 NOS3 (0.33) KMT2A
SCHEMBL30874227 0.78 SIRT6 (0.49) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL30483004 0.75 SIRT6 (0.49) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL5875650 0.73 HTT (0.31) HTT
SCHEMBL5132527 0.72 SIRT6 (0.41) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL30301027 0.72 SIRT6 (0.46) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6468945 0.69 SIRT6 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2222631 0.68 SIRT6 (0.52) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2221172 0.68 SIRT6 (0.45) SIRT6ADORA3TSHRMC4RADRA1A

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 SIRT6 750/4885PRMT1 63/4885ADORA3 92/4885

“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.