SCHEMBL12322638

SCHEMBL12322638

COCCOc1cccc(C=O)c1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.46
▸ BTK Q06187 3/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ KIF18A Q8NI77 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ RET P07949 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ AURKA O14965 3/20 0.38
▸ PDPK1 O15530 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38

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
SCHEMBL12322662 0.95 PIM1 (0.47) MAP4K4PIM1PIM3PIM2PDE10A
SCHEMBL12283559 0.90 MAP4K4 (0.48) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12284173 0.89 MAP4K4 (0.48) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12283494 0.88 PIM1 (0.46) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12284337 0.88 MAP4K4 (0.46) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12283763 0.87 MAP4K4 (0.46) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12322730 0.85 MAP4K4 (0.47) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL2423586 0.85 PIM2 (0.63) PIM1PIM3PIM2
SCHEMBL12322650 0.85 MAP4K4 (0.46) MAP4K4BTKJAK3PIM1PIM3
SCHEMBL12323317 0.85 MAP4K4 (0.46) MAP4K4BTKJAK3PIM1PIM3

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 4 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
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO 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 MAP4K4 176/4885BTK 20/4885JAK3 40/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 MAP4K4 184/4885BTK 27/4885JAK3 62/4885

“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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