SCHEMBL2042387

SCHEMBL2042387

COc1ccc(-c2cc(-c3cccnc3C3CNCCO3)nc3ncnc(N)c23)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ NR2E3 Q9Y5X4 2/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ ADK P55263 10/20 0.40
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 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
SCHEMBL2035227 0.87 ADK (0.41) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL2034210 0.86 ADK (0.48) KMT2AADKKDM4EMEN1ALDH1A1
SCHEMBL2042392 0.85 ADK (0.44) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8147918 0.84 KDM4E (0.35) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8265827 0.84 HPGD (0.52) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL2035054 0.82 ADK (0.38) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8267956 0.82 HPGD (0.43) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8254622 0.82 PIK3CD (0.38) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8215356 0.82 PI4KA (0.36) KMT2APPARGNR2E3NCOR2ADK
SCHEMBL8243485 0.81 KCNH2 (0.35) KMT2APPARGNR2E3NCOR2ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 — — WO claimed
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 claimed
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 claimed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 — — US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 — — EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 — — 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 (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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP GSK3B 445/4885KMT2A 1519/4885PPARG 2375/4885

“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.

Send feedback