SCHEMBL1265671

SCHEMBL1265671

CC(C)(C)OC(=O)NCc1cnccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
CYP3A4 P08684 1/20 0.44
HPGDS O60760 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2C9 P11712 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
VNN1 O95497 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
KDM4A O75164 1/20 0.40
RAB9A P51151 1/20 0.40
LATS1 O95835 2/20 0.40
STK17B O94768 1/20 0.40

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
SCHEMBL30089199 1.00 NAMPT (0.48) NAMPTCYP3A4HPGDSHDAC3HDAC1
SCHEMBL23081593 0.85 HDAC3 (0.42) NAMPTCYP3A4HPGDSHDAC3HDAC1
SCHEMBL30525777 0.85 HDAC3 (0.42) NAMPTCYP3A4HPGDSHDAC3HDAC1
SCHEMBL19210478 0.84 HPGDS (0.50) NAMPTHPGDSHDAC3HDAC1HDAC2
SCHEMBL31625175 0.80 L3MBTL1 (0.43) NAMPTL3MBTL1CA12CA1CA2
SCHEMBL18701559 0.80 KDM4E (0.50) NAMPTHPGDSHDAC3HDAC1HDAC2
SCHEMBL4030710 0.79 CYP3A4 (0.48) CYP3A4L3MBTL1CA12CA1CA2
SCHEMBL18567056 0.79 STK17B (0.45) NAMPTL3MBTL1CA12CA1CA2
SCHEMBL29611056 0.79 SMN1; SMN2 (0.61) L3MBTL1KDM4ERAB9A
SCHEMBL4678395 0.79 SMN1; SMN2 (0.61) L3MBTL1KDM4ERAB9A

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022246092-A1 MACROCYCLIC COMPOUNDS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2022-11-24 WO disclosed
EP-2683394-B1 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS SIGNATURE THERAPEUTICS INC (US) 2021-01-06 EP disclosed
EP-2683394-B1 ACTIVE AGENT PRODRUGS WITH HETEROCYCLIC LINKERS SIGNATURE THERAPEUTICS INC (US) 2021-01-06 EP disclosed
CN-111936495-A Heterocyclic compounds and their use 武田药品工业株式会社 2020-11-13 CN disclosed
CN-103813800-B Active agent prodrugs with heterocyclic linkers 特色疗法股份有限公司 2017-12-19 CN disclosed
US-20160002291-A1 Active Agent Prodrugs with Heterocyclic Linkers SIGNATURE THERAPEUTICS INC (US) 2016-01-07 US disclosed
US-20160002291-A1 Active Agent Prodrugs with Heterocyclic Linkers SIGNATURE THERAPEUTICS INC (US) 2016-01-07 US 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-9139612-B2 Active agent prodrugs with heterocyclic linkers SIGNATURE THERAPEUTICS, INC. (US) 2015-09-22 US 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
CN-101595110-A Be used for immunosuppressant 7-substituted purin derivatives PHARMACOPEIA INC (US) 2009-12-02 CN 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
CN-101203516-A Purine and imidazopyridine derivatives for immunosuppression PHARMACOPEIA INC (US) 2008-06-18 CN 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 (4 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 NAMPT 700/4885CYP3A4 1539/4885HPGDS 283/4885
US-20160002291-A1 Active Agent Prodrugs with Heterocyclic Linkers PEPD, SI, PREP NAMPT 1466/4885CYP3A4 168/4885HPGDS 517/4885
US-20070021443-A1 Purine and imidazopyridine derivatives for immunosuppression TPMT, P2RY4, P2RY1 NAMPT 118/4885CYP3A4 702/4885HPGDS 130/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 NAMPT 118/4885CYP3A4 702/4885HPGDS 130/4885

“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.