SCHEMBL20201240

SCHEMBL20201240

COc1ccc(-n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncnc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 3/20 0.54
▸ PI4K2B Q8TCG2 3/20 0.54
▸ PI4K2A Q9BTU6 3/20 0.54
▸ PI4KB Q9UBF8 3/20 0.54
▸ GRM1 Q13255 6/20 0.43
▸ GRM5 P41594 3/20 0.43
▸ XDH P47989 1/20 0.42
▸ GPR119 Q8TDV5 1/20 0.41
▸ HPGD P15428 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ SLC2A2 P11168 1/20 0.37
▸ SLC2A3 P11169 1/20 0.37
▸ CPB2 Q96IY4 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL5108864 0.88 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBGRM1
SCHEMBL5108617 0.84 GPR119 (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL5113119 0.78 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBGRM1
SCHEMBL5108869 0.77 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBGRM1
SCHEMBL28751843 0.77 NSD2 (0.35) —
SCHEMBL8342895 0.76 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBGRM1
SCHEMBL17017085 0.76 PIK3CD (0.38) PI4KBGPR119
SCHEMBL29707109 0.76 PIK3CD (0.38) PI4KBGPR119
SCHEMBL5110968 0.75 KDR (0.49) —
SCHEMBL5108620 0.74 SLC29A1 (0.40) PI4KAPI4K2BPI4K2API4KBXDH

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
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 — — US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 — — 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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 PI4KA 3540/4885PI4K2B 3698/4885PI4K2A 3732/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 PI4KA 3540/4885PI4K2B 3698/4885PI4K2A 3732/4885

“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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