SCHEMBL3312798

SCHEMBL3312798

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
NR1H2 P55055 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.41
ESR2 Q92731 1/20 0.40
PDE4B Q07343 2/20 0.40
ADORA1 P30542 1/20 0.40
ABCB1 P08183 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
MAPK1 P28482 1/20 0.40
CFTR P13569 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALK Q9UM73 3/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39

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
SCHEMBL31342592 0.88 SUV39H2 (0.44) MAPTNR1H2ALDH1A1LMNAESR2
SCHEMBL22650348 0.86 NR1H2 (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL29990901 0.86 MAPT (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL29709677 0.86 NR1H2 (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL22650415 0.86 MAPT (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL1663275 0.85 GALR2 (0.43) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL22650491 0.85 NR1H2 (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL26629245 0.85 NR1H2 (0.46) MAPTNR1H2ALDH1A1LMNAESR2
SCHEMBL3311487 0.85 LMNA (0.50) MAPTNR1H2ALDH1A1LMNAKDM4E
SCHEMBL31129834 0.84 NR1H2 (0.46) MAPTNR1H2ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS MAPT 2130/4885NR1H2 909/4885ALDH1A1 649/4885

“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.