SCHEMBL1914142

SCHEMBL1914142

Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 1.00
▸ KDM4E B2RXH2 1/20 0.98
▸ MEN1 O00255 1/20 0.98
▸ ALDH1A1 P00352 1/20 0.98
▸ MAPT P10636 1/20 0.98
▸ HPGD P15428 1/20 0.98
▸ ALOX15 P16050 1/20 0.98
▸ TSHR P16473 1/20 0.98
▸ CASP1 P29466 1/20 0.98
▸ BLM P54132 1/20 0.98
▸ CASP7 P55210 1/20 0.98
▸ KMT2A Q03164 1/20 0.98
▸ SMN1; SMN2 Q16637 1/20 0.98
▸ HSD17B10 Q99714 1/20 0.98
▸ TDP1 Q9NUW8 1/20 0.98

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
SCHEMBL29454524 1.00 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL31433473 1.00 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29941043 0.99 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL29940884 0.99 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2036328 0.91 ADK (1.00) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2035229 0.91 ADK (0.84) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8267958 0.91 ADK (0.83) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8193961 0.90 ADK (0.98) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL2037666 0.90 ADK (0.82) ADKKDM4EMEN1ALDH1A1MAPT
SCHEMBL8258006 0.90 ADK (0.81) ADKKDM4EMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — US claimed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 — — EP claimed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 — — WO claimed
US-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-05-20 — — US claimed
WO-2004012769-A1 THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 — — WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
WO-2024078118-A1 CHEMICAL REPROGRAMMING AND PLURIPOTENT STEM CELLS PEKING UNIVERSITY (CN) 2024-04-18 — — WO disclosed
US-20200384115-A1 TARGETED DELIVERY TO BETA CELLS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-10 — — US disclosed
US-20190038627-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2019-02-07 — — US disclosed
US-10016432-B2 Methanocarba derivatives of pseudoribose that inhibit adenosine kinase LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2018-07-10 — — US disclosed
US-20180148428-A1 ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-05-31 — — US disclosed
WO-2017205848-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2017-11-30 — — WO disclosed
US-20170340640-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE LEGACY EMANUEL HOSPITAL & HEALTH CENTER (US) 2017-11-30 — — US disclosed
WO-2004012746-A2 NEW USES FOR INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 — — WO disclosed
WO-2004012769-A1 THERAPEUTIC INHIBITIONOF PROTEIN KINASES IN CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2004-02-12 — — WO disclosed
US-6489356-B2 TREATING HYPER-EXCITED SENSORY NERVE FUNCTIONS, COMPRISING ADMINISTERING (2-AMINO-4,5,6,7-TETRAHYDROBENZO(B)THIOPHEN-3-YL)(4-CHLOROPHENYL) METHANONE OR A ACCEPTABLE SALT THEREOF KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-12-03 — — US disclosed
US-20020055535-A1 Method for treating pain in humans KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-05-09 — — US disclosed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO disclosed
EP-0989986-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO 2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS Abbott Laboratories (US) 2000-04-05 — — EP disclosed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 — — 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 (8 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-20200384115-A1 TARGETED DELIVERY TO BETA CELLS IAPP, ZFR, ZC3H11A ADK 2148/4885KDM4E 1462/4885MEN1 2406/4885
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ADK 1/4885KDM4E 1516/4885MEN1 1636/4885
US-10016432-B2 Methanocarba derivatives of pseudoribose that inhibit adenosine kinase ADK, AK2, PRKAA1 ADK 1/4885KDM4E 803/4885MEN1 2427/4885
US-20190038627-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE ADK, AK2, PRKAA1 ADK 1/4885KDM4E 803/4885MEN1 2427/4885
US-20040096436-A1 Method for treating cancer comprising administering to a subject in need of such treatment a therapeutically effective amount of a member selected from an inhibitor of a protein kinase, an enantiomer of such a compound, a prodrug of such a IMPDH1, IMPDH2, DCK ADK 8/4885KDM4E 2094/4885MEN1 2274/4885
US-20180148428-A1 ORGANIC LIGHT EMITTING DEVICE WITH THERMALLY ACTIVATED DELAYED FLUORESCENT LIGHT EMITTING MATERIAL OCIAD1, OCIAD2, TRPA1 ADK 2764/4885KDM4E 4198/4885MEN1 4579/4885
US-20020055535-A1 Method for treating pain in humans ADORA2A, ADORA2B, ADORA1 ADK 132/4885KDM4E 2348/4885MEN1 443/4885
US-20170340640-A1 METHANOCARBA DERIVATIVES OF PSEUDORIBOSE THAT INHIBIT ADENOSINE KINASE ADK, AK2, PRKAA1 ADK 1/4885KDM4E 803/4885MEN1 2427/4885

“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.

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