SCHEMBL2425205

SCHEMBL2425205

CC(C)(C)NC(=O)O[C@@H]1CCCN(c2c(Br)cccc2C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ NTMT1 Q9BV86 2/20 0.35
▸ BCHE P06276 4/20 0.34
▸ MAOB P27338 2/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2425207 1.00 PIM1 (0.38) PIM1PIM3PIM2NTMT1BCHE
SCHEMBL1579124 0.83 PIM1 (0.44) PIM1PIM3PIM2DPP4KDM4E
SCHEMBL2425209 0.78 MAP4K4 (0.49) PIM1PIM3PIM2DPP4L3MBTL1
SCHEMBL12283721 0.78 MAP4K4 (0.49) PIM1PIM3PIM2DPP4L3MBTL1
SCHEMBL12283785 0.73 PIM1 (0.52) PIM1PIM3PIM2L3MBTL1
SCHEMBL28777524 0.73 CCNE1 (0.33) —
SCHEMBL27989183 0.72 NTMT1 (0.50) NTMT1KDM4EL3MBTL1
SCHEMBL29265663 0.70 ACACB (0.43) —
SCHEMBL28232720 0.69 PIM1 (0.41) PIM1PIM3PIM2KDM4EATM
SCHEMBL28613367 0.69 ACACB (0.41) PIM1PIM3PIM2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — 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 (2 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 3/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 3/4885

“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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