SCHEMBL1449080

SCHEMBL1449080

CN(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.48
PIK3CA P42336 5/20 0.47
MTOR P42345 5/20 0.47
L3MBTL3 Q96JM7 1/20 0.46
MAP4K4 O95819 1/20 0.45
CPS1 P31327 3/20 0.44
PDK2 Q15119 2/20 0.43
DGAT1 O75907 1/20 0.42
MALT1 Q9UDY8 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
SCHEMBL1448739 1.00 ATR (0.48) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL1448741 1.00 ATR (0.48) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL3397955 0.92 L3MBTL3 (0.55) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL1448964 0.86 L3MBTL3 (0.50) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL1447788 0.86 L3MBTL3 (0.50) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL4697556 0.86 L3MBTL3 (0.50) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL22164625 0.85 ATR (0.52) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL22164624 0.85 ATR (0.52) ATRPIK3CAMTORL3MBTL3MAP4K4
SCHEMBL24185230 0.80 L3MBTL3 (0.71) L3MBTL3PDK2
SCHEMBL2887400 0.80 L3MBTL3 (0.71) L3MBTL3PDK2

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
EP-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 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-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ATR 1011/4885PIK3CA 467/4885MTOR 1320/4885

“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.