SCHEMBL2053812

SCHEMBL2053812

COc1ccc(-c2cc(-c3ccc(OC(C)C)cc3)c3c(N)ncnc3n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.77
▸ NR2E3 Q9Y5X4 3/20 0.77
▸ NCOR2 Q9Y618 3/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ KDM4E B2RXH2 2/20 0.57
▸ MCL1 Q07820 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ HPGD P15428 2/20 0.56
▸ PTK2B Q14289 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ADK P55263 3/20 0.54
▸ ACHE P22303 4/20 0.52
▸ DYRK1A Q13627 1/20 0.48
▸ KDR P35968 2/20 0.47
▸ AURKB Q96GD4 1/20 0.46

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
SCHEMBL8129816 0.88 PPARG (0.77) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL2035066 0.88 PPARG (0.84) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL7961226 0.86 PPARG (0.80) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL8185081 0.84 ADK (0.77) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL2036618 0.84 PPARG (0.89) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL8155291 0.84 ADK (0.77) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL8139461 0.83 PPARG (0.75) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL8194177 0.83 PPARG (0.75) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL2033391 0.82 PPARG (0.82) PPARGNR2E3NCOR2KMT2AKDM4E
SCHEMBL8129819 0.82 PPARG (0.73) PPARGNR2E3NCOR2KMT2AKDM4E

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 4 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
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

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.

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