SCHEMBL5042238

SCHEMBL5042238

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.52
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
MC4R P32245 1/20 0.44
ADRA1A P35348 1/20 0.44
MC3R P41968 1/20 0.44
KMT2A Q03164 1/20 0.38
BTK Q06187 3/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LCK P06239 1/20 0.34
PARP1 P09874 1/20 0.34
P4HTM Q9NXG6 2/20 0.33
LMNA P02545 1/20 0.32
GSK3B P49841 1/20 0.32
P4HA1 P13674 1/20 0.31
MIF P14174 1/20 0.31
TGFBR1 P36897 1/20 0.31
ICAM1 P05362 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
SCHEMBL5040447 0.82 SIRT6 (0.53) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2635320 0.80 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.78 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL24994311 0.76 MAPK1 (0.47) SIRT6BACE1KDM4EL3MBTL1LCK
SCHEMBL17712841 0.73 SIRT6 (0.64) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL31156810 0.71 ADORA3 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL14313758 0.71 KMT2A (0.49) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL29923668 0.71 KDM4E (0.64) SIRT6BTKKDM4EL3MBTL1NNMT
SCHEMBL29915751 0.71 KDM4E (0.64) SIRT6BTKKDM4EL3MBTL1NNMT
SCHEMBL2220140 0.70 SIRT6 (0.59) 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 4 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 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 750/4885ADORA3 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.