SCHEMBL30311399

SCHEMBL30311399

CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(CCCO[Si](C)(C)C(C)(C)C)n2n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PDE8B O95263 1/20 0.34
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TSHR P16473 6/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ EPHA2 P29317 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ EPHB4 P54760 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31

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
SCHEMBL30311168 0.88 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL30311174 0.87 PDE8B (0.38) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL30311159 0.81 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL30311175 0.81 ACHE (0.34) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL21279655 0.80 HPGD (0.39) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL2737908 0.80 HPGD (0.39) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL2738201 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1NPSR1
SCHEMBL2737942 0.79 PDE8B (0.40) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL2737945 0.77 ABCB1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1PDE8B
SCHEMBL2737944 0.77 ABCB1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1PDE8B

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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2023-03-09 — — 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-20230069963-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND ZC3HAV1, ZC3HAV1L, IL5 ALDH1A1 2801/4885MEN1 2874/4885KMT2A 3751/4885

“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.

Send feedback