SCHEMBL1265669

SCHEMBL1265669

CN(C(=O)OC(C)(C)C)c1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 4/20 0.36
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PAX8 Q06710 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL5833661 0.85 POLB (0.40) POLBGPR119ALDH1A1KDM4ETP53
SCHEMBL30594001 0.85 POLB (0.40) POLBGPR119ALDH1A1KDM4ETP53
SCHEMBL27838787 0.83 POLB (0.38) POLBGPR119ALDH1A1KDM4ETP53
SCHEMBL29659142 0.77 POLB (0.44) POLBGPR119ALDH1A1SMN1; SMN2PAX8
SCHEMBL25763092 0.77 PAX8 (0.35) POLBGPR119ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6601505 0.77 POLB (0.44) POLBGPR119ALDH1A1SMN1; SMN2PAX8
SCHEMBL31491952 0.76 PAX8 (0.34) ALDH1A1PAX8SSTR4USP30
SCHEMBL9072452 0.76 PAX8 (0.34) ALDH1A1PAX8AAK1USP30
SCHEMBL972752 0.76 PAX8 (0.34) ALDH1A1PAX8SSTR4USP30
SCHEMBL26947077 0.76 PAX8 (0.34) ALDH1A1PAX8AAK1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683394-B1 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS SIGNATURE THERAPEUTICS INC (US) 2021-01-06 EP disclosed
US-20160002291-A1 Active Agent Prodrugs with Heterocyclic Linkers SIGNATURE THERAPEUTICS INC (US) 2016-01-07 US disclosed
US-9139612-B2 Active agent prodrugs with heterocyclic linkers SIGNATURE THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9095627-B2 Opioid prodrugs with heterocyclic linkers SIGNATURE THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20140206597-A1 Opioid Prodrugs with Heterocyclic Linkers 3I, LP 2014-07-24 US disclosed
US-20140121152-A1 Active Agent Prodrugs with Heterocyclic Linkers SIGNATURE THERAPEUTICS, INC. (US) 2014-05-01 US disclosed
EP-2683394-A2 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS Signature Therapeutics, Inc. (US) 2014-01-15 EP disclosed
US-20120295834-A1 Opioid Prodrugs with Heterocyclic Linkers 3I, LP 2012-11-22 US disclosed
WO-2012122420-A2 OPIOID PRODRUGS WITH HETEROCYCLIC LINKERS PHARMACOFORE, INC. (US) 2012-09-13 WO disclosed
WO-2012122422-A2 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS SIGNATURE THERAPEUTICS, INC. (US) 2012-09-13 WO disclosed
WO-2012116629-A1 MANGIFERIN AGLYCON DERIVATIVE AND PREPARATION METHOD AND USE THEREOF 上海长征医院 (CN) 2012-09-07 WO disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
EP-2099800-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION Pharmacopeia, LLC (US) 2009-09-16 EP disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
WO-2008060301-A1 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA , LLC (US) 2008-05-22 WO disclosed
US-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-05-22 US disclosed
EP-1874772-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-01-09 EP disclosed
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression WYETH LLC 2007-01-25 US disclosed
WO-2006108103-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2006-10-12 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 (7 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-20080119496-A1 7-Substituted Purine Derivatives for Immunosuppression P2RX7, P2RX5, P2RY1 POLB 3181/4885GPR119 638/4885ALDH1A1 298/4885
US-20140121152-A1 Active Agent Prodrugs with Heterocyclic Linkers PEPD, SI, PREP POLB 2534/4885GPR119 760/4885ALDH1A1 1956/4885
US-20120295834-A1 Opioid Prodrugs with Heterocyclic Linkers OPRK1, OPRM1, PREP POLB 1733/4885GPR119 1189/4885ALDH1A1 1622/4885
US-20140206597-A1 Opioid Prodrugs with Heterocyclic Linkers OPRK1, OPRM1, PREP POLB 1733/4885GPR119 1189/4885ALDH1A1 1622/4885
US-20160002291-A1 Active Agent Prodrugs with Heterocyclic Linkers PEPD, SI, PREP POLB 2534/4885GPR119 760/4885ALDH1A1 1956/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 POLB 3467/4885GPR119 189/4885ALDH1A1 514/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 POLB 3467/4885GPR119 189/4885ALDH1A1 514/4885

“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.