SCHEMBL5037271

SCHEMBL5037271

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.57
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
MYC P01106 1/20 0.39
CHEK1 O14757 7/20 0.38
KMT2A Q03164 1/20 0.38
KDR P35968 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
PDPK1 O15530 1/20 0.36
DYRK3 O43781 1/20 0.36
MAP4K4 O95819 1/20 0.36
RET P07949 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
IRAK1 P51617 1/20 0.36

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
SCHEMBL11023993 0.86 KDM4E (0.42) SIRT6CHEK1KDRGSK3AGSK3B
SCHEMBL27818231 0.83 CHEK1 (0.40) SIRT6CHEK1KDRGSK3AGSK3B
SCHEMBL24724182 0.80 KCNJ1 (0.40) SIRT6CHEK1KDRGSK3AGSK3B
SCHEMBL2635320 0.80 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.78 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL3674005 0.75 CHEK1 (0.44) CHEK1
SCHEMBL17712841 0.73 SIRT6 (0.64) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL1432968 0.72 SIRT6 (1.00) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL31041116 0.72 SIRT6 (1.00) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL3456447 0.72 POLB (0.45) CHEK1

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 750/4885ADORA3 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.