SCHEMBL1447788

SCHEMBL1447788

Cc1cc(Br)ccc1C(=O)N1CC[C@@H](N(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.50
PIK3CA P42336 3/20 0.45
MTOR P42345 3/20 0.45
PDK2 Q15119 1/20 0.44
HTR7 P34969 1/20 0.43
RORC P51449 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
MALT1 Q9UDY8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAP4K4 O95819 1/20 0.41
ATR Q13535 1/20 0.41

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
SCHEMBL4697556 1.00 L3MBTL3 (0.50) L3MBTL3PIK3CAMTORPDK2HTR7
SCHEMBL1448964 1.00 L3MBTL3 (0.50) L3MBTL3PIK3CAMTORPDK2HTR7
SCHEMBL2797831 0.92 L3MBTL3 (0.60) L3MBTL3PIK3CAMTORRORCL3MBTL1
SCHEMBL1448741 0.86 ATR (0.48) L3MBTL3PIK3CAMTORPDK2MALT1
SCHEMBL1448739 0.86 ATR (0.48) L3MBTL3PIK3CAMTORPDK2MALT1
SCHEMBL1449080 0.86 ATR (0.48) L3MBTL3PIK3CAMTORPDK2MALT1
SCHEMBL24185235 0.84 L3MBTL3 (0.71) L3MBTL3PDK2HRH3L3MBTL1
SCHEMBL2887400 0.84 L3MBTL3 (0.71) L3MBTL3PDK2HRH3L3MBTL1
SCHEMBL24185230 0.84 L3MBTL3 (0.71) L3MBTL3PDK2HRH3L3MBTL1
SCHEMBL18065291 0.83 DPP4 (0.47) L3MBTL3L3MBTL1

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 L3MBTL3 3141/4885PIK3CA 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.