SCHEMBL2038548

SCHEMBL2038548

COc1cc(Br)cc(-c2cc(-c3cccs3)nc3ncnc(N)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.53
▸ NR2E3 Q9Y5X4 2/20 0.53
▸ NCOR2 Q9Y618 2/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ADK P55263 14/20 0.49
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ SRC P12931 1/20 0.42

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
SCHEMBL8152583 0.93 PPARG (0.57) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL8127991 0.86 PPARG (0.63) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL14635286 0.84 ADK (0.61) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL8128744 0.79 ADK (0.72) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL2037254 0.79 ADK (0.53) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL8144679 0.77 ADK (0.66) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL2038563 0.76 ADK (0.51) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL8143444 0.76 ADK (0.56) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL2038864 0.75 ADK (0.55) PPARGNR2E3NCOR2KMT2AADK
SCHEMBL8185017 0.75 PPARG (0.79) PPARGNR2E3NCOR2KMT2AADK

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 PPARG 2375/4885NR2E3 4022/4885NCOR2 2830/4885

“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