SCHEMBL2039883

SCHEMBL2039883

Nc1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.77
KDM4E B2RXH2 2/20 0.62
HPGD P15428 2/20 0.62
PPARG P37231 2/20 0.62
NR2E3 Q9Y5X4 2/20 0.62
NCOR2 Q9Y618 2/20 0.62
POLB P06746 1/20 0.62
MCL1 Q07820 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTK2B Q14289 1/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
CASP1 P29466 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL8127996 0.94 ADK (0.78) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL8139237 0.92 ADK (0.76) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL8136472 0.90 ADK (0.73) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL2053382 0.90 ADK (0.73) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL2035586 0.90 HPGD (0.77) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL8128209 0.90 ADK (0.73) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL2041886 0.90 ADK (0.73) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL8141803 0.89 ADK (0.72) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL2032548 0.89 ADK (0.72) ADKKDM4EHPGDPPARGNR2E3
SCHEMBL2037506 0.87 ADK (0.72) ADKKDM4EHPGDPPARGNR2E3

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 6 patents. 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 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
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 (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 ADK 1/4885KDM4E 1516/4885HPGD 2872/4885

“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.