SCHEMBL5040447

SCHEMBL5040447

NC(=O)c1cnc(C=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.53
ADORA3 P0DMS8 1/20 0.45
TSHR P16473 1/20 0.45
MC4R P32245 1/20 0.45
ADRA1A P35348 1/20 0.45
MC3R P41968 1/20 0.45
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNJ1 P48048 2/20 0.36
LCK P06239 1/20 0.35
P4HTM Q9NXG6 2/20 0.34
LMNA P02545 1/20 0.33
GSK3B P49841 1/20 0.33
P4HA1 P13674 1/20 0.32
MIF P14174 1/20 0.32
NNMT P40261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TGFBR1 P36897 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
SCHEMBL2635320 0.82 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL5042238 0.82 SIRT6 (0.52) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.79 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL15581121 0.79 KCNJ1 (0.41) SIRT6KCNJ1ALDH1A1
SCHEMBL12346040 0.78 KCNJ1 (0.38) KCNJ1P4HTMP4HA1MIF
SCHEMBL1825784 0.76 KCNJ1 (0.48) KCNJ1ALDH1A1
SCHEMBL17712841 0.75 SIRT6 (0.64) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL992006 0.75 MAPK1 (0.49) SIRT6KDM4EL3MBTL1KCNJ1LCK
Iodide SCHEMBL28714110 0.74 KCNJ1 (0.47) KCNJ1ALDH1A1
SCHEMBL2220140 0.71 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 12 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
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
EP-2025697-A1 Process to obtain dimers, trimers and up to polymers from pyridinemethanol derivatives compounds Benemerita Universidad Autonoma de Puebla (MX) 2009-02-18 EP disclosed
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 (3 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB SIRT6 4670/4885ADORA3 4836/4885TSHR 4129/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA SIRT6 750/4885ADORA3 92/4885TSHR 1417/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 SIRT6 2571/4885ADORA3 1315/4885TSHR 1475/4885

“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.