SCHEMBL29566147

SCHEMBL29566147

C[C@H](C#Cc1ncc(Cl)cc1N1CCOCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.39
▸ RAF1 P04049 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ GAA P10253 2/20 0.34

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
SCHEMBL24312277 1.00 TRPA1 (0.39) TRPA1RAF1KDM4EBRD4FFAR2
SCHEMBL24312163 1.00 TRPA1 (0.39) TRPA1RAF1KDM4EBRD4FFAR2
SCHEMBL29610451 0.79 RAF1 (0.38) RAF1LMNAMAPTALOX15TSHR
SCHEMBL29566145 0.79 RAF1 (0.38) RAF1LMNAMAPTALOX15TSHR
SCHEMBL24312591 0.79 RAF1 (0.38) RAF1LMNAMAPTALOX15TSHR
SCHEMBL24312146 0.79 RAF1 (0.38) RAF1LMNAMAPTALOX15TSHR
SCHEMBL24312272 0.79 RAF1 (0.40) RAF1KDM4EBRD4MEN1LMNA
SCHEMBL29567366 0.74 MAP3K14 (0.41) RAF1LMNAMAPTALOX15TSHR
SCHEMBL24312573 0.74 MAP3K14 (0.41) RAF1LMNAMAPTALOX15TSHR
SCHEMBL24312228 0.73 RAF1 (0.43) RAF1KDM4ELMNAMAPTPRKDC

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-11746095-B2 Inhibtors of RAF kinases KINNATE BIOPHARMA INC. (US) 2023-09-05 — — US disclosed
US-20220356160-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2022-11-10 — — US disclosed
US-11377431-B2 Inhibitors of RAF kinases KINNATE BIOPHARMA INC. (US) 2022-07-05 — — US disclosed
US-20220112170-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2022-04-14 — — 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 (4 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-20220112170-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF TRPA1 4678/4885RAF1 2/4885KDM4E 1831/4885
US-11746095-B2 Inhibtors of RAF kinases RAF1, BRAF, ARAF TRPA1 4844/4885RAF1 1/4885KDM4E 3091/4885
US-20220356160-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF TRPA1 4678/4885RAF1 2/4885KDM4E 1831/4885
US-11377431-B2 Inhibitors of RAF kinases BRAF, RAF1, ARAF TRPA1 4678/4885RAF1 2/4885KDM4E 1831/4885

“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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