SCHEMBL19766587

SCHEMBL19766587

CC(C)Nc1ccc(C(=O)N2CC(O)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GFER P55789 1/20 0.36
▸ VNN1 O95497 3/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ADORA2A P29274 2/20 0.36
▸ ADORA2B P29275 2/20 0.36
▸ GPR6 P46095 1/20 0.36
▸ HPGD P15428 1/20 0.35

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
SCHEMBL23219796 0.87 TDP1 (0.41) PLA2G1BATG4BPDE10AHRH3PDE7A
SCHEMBL20940096 0.85 PDE10A (0.39) PLA2G1BATG4BPDE10APDE7AL3MBTL3
SCHEMBL20940095 0.81 PDE10A (0.37) PLA2G1BATG4BPDE10AHRH3PDE7A
SCHEMBL23219795 0.81 VNN1 (0.41) PLA2G1BATG4BPDE10APDE7AL3MBTL3
SCHEMBL13466364 0.79 PLA2G1B (0.45) PLA2G1BATG4BPDE10AHRH3L3MBTL3
SCHEMBL13467096 0.77 PDE10A (0.56) PDE10AL3MBTL3L3MBTL1NAMPTTDP1
SCHEMBL3232177 0.74 IRAK4 (0.42) PDE10AL3MBTL3L3MBTL1TDP1VNN1
SCHEMBL20254512 0.74 SMN1; SMN2 (0.41) PDE10AL3MBTL3L3MBTL1TDP1VNN1
SCHEMBL23880060 0.73 SCN9A (0.46) PLA2G1BATG4BPDE10AL3MBTL3L3MBTL1
SCHEMBL21379476 0.72 PLA2G1B (0.47) PLA2G1BATG4BPDE7AL3MBTL3L3MBTL1

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-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 — — 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-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD PLA2G1B 1139/4885ATG4B 4184/4885PDE10A 583/4885

“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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