SCHEMBL1781447

SCHEMBL1781447

COc1cc(C2CCN(C)CC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.56
PDE4B Q07343 5/20 0.47
ABL1 P00519 2/20 0.46
SRC P12931 1/20 0.46
JAK2 O60674 1/20 0.44
EGFR P00533 2/20 0.44
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
TTK P33981 2/20 0.43
TNK2 Q07912 1/20 0.42
PTK6 Q13882 1/20 0.42
INSR P06213 1/20 0.42
NPM1 P06748 1/20 0.42
ALK Q9UM73 1/20 0.42
NAMPT P43490 1/20 0.42
FLT4 P35916 1/20 0.42
PTK2 Q05397 1/20 0.42
MAPK7 Q13164 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
SCHEMBL12479659 0.89 PDE4B (0.51) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL3315978 0.89 PDE4B (0.59) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL27933804 0.88 PDE4B (0.45) QDPRPDE4BABL1SRCEGFR
SCHEMBL17197329 0.87 EGFR (0.48) QDPRPDE4BABL1SRCEGFR
SCHEMBL17197365 0.87 PDE4B (0.48) QDPRPDE4BABL1SRCJAK2
SCHEMBL17197372 0.87 MEN1 (0.53) QDPRPDE4BEGFRPDE4APDE4C
SCHEMBL1784746 0.85 ALK (0.44) QDPRPDE4BABL1EGFRALK
SCHEMBL1784640 0.84 QDPR (0.63) QDPRPDE4BEGFRPDE4APDE4C
SCHEMBL2589415 0.84 QDPR (0.63) QDPRPDE4BEGFRPDE4APDE4C
SCHEMBL26796779 0.82 HRH3 (0.48) ABL1SRCJAK2TTKPTK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 QDPR 2121/4885PDE4B 4299/4885ABL1 448/4885

“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.