SCHEMBL29355937

SCHEMBL29355937

OCCOc1cccc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.46
▸ PIK3CD O00329 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PIK3R1 P27986 1/20 0.45
▸ PIK3CB P42338 1/20 0.45
▸ ELOVL1 Q9BW60 2/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ PDE10A Q9Y233 3/20 0.42
▸ CYP2C19 P33261 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ RAF1 P04049 3/20 0.40
▸ BRAF P15056 3/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ ARAF P10398 1/20 0.40
▸ DDR1 Q08345 1/20 0.40
▸ DDR2 Q16832 1/20 0.40

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
SCHEMBL29359066 0.86 ELOVL1 (0.40) PIK3CAPIK3CDGAAPIK3R1PIK3CB
SCHEMBL30291693 0.81 PIK3CD (0.49) PIK3CAPIK3CDGAAPIK3R1PIK3CB
SCHEMBL30291479 0.81 PIK3CD (0.49) PIK3CAPIK3CDGAAPIK3R1PIK3CB
SCHEMBL30291577 0.80 GAA (0.41) PIK3CAPIK3CDGAAPIK3R1PIK3CB
SCHEMBL30291553 0.80 GAA (0.43) PIK3CAPIK3CDGAAPIK3CBPDE10A
SCHEMBL30291447 0.80 GAA (0.43) PIK3CAPIK3CDGAAPIK3CBPDE10A
SCHEMBL25230198 0.79 CYP11B2 (0.60) PIK3CBHTTPDE10ACNR2
SCHEMBL22488033 0.78 BRAF (0.47) CYP2C19RAF1BRAFPDGFRBARAF
SCHEMBL13706046 0.77 CYP2C19 (0.58) GAAPIK3CBHTTPDE10ACYP2C19
SCHEMBL29356853 0.77 GAA (0.43) PIK3CAPIK3CDGAAPIK3CBHTT

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-20230081390-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2023-03-16 — — US disclosed
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 — — EP 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-20230081390-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF PIK3CA 61/4885PIK3CD 154/4885GAA 1754/4885

“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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