SCHEMBL24896806

SCHEMBL24896806

COCCCn1cc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2F)c(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ LIPC P11150 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ HSD11B2 P80365 1/20 0.30

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
SCHEMBL30384591 1.00 MPO (0.34) MPOKCNH2IRAK4FLT3LRRK2
SCHEMBL30384644 0.95 LRRK2 (0.36) MPOKCNH2IRAK4LRRK2LIPC
SCHEMBL24896803 0.95 LRRK2 (0.36) MPOKCNH2IRAK4LRRK2LIPC
SCHEMBL24896504 0.86 — —
SCHEMBL30192579 0.86 LRRK2 (0.34) MPOKCNH2LRRK2NR1H2NR1H3
SCHEMBL26453122 0.86 LRRK2 (0.34) MPOKCNH2LRRK2NR1H2NR1H3
SCHEMBL24896674 0.84 MPO (0.43) MPOKCNH2NR1H2NR1H3
SCHEMBL30384462 0.84 MPO (0.43) MPOKCNH2NR1H2NR1H3
SCHEMBL26094499 0.83 IRAK4 (0.32) MPOKCNH2IRAK4LIPCNR1H2
SCHEMBL24897015 0.82 MPO (0.48) MPOKCNH2NR1H2NR1H3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 — — US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 — — US disclosed
WO-2023285497-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-19 — — WO 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 MPO 814/4885KCNH2 774/4885IRAK4 1492/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH MPO 630/4885KCNH2 896/4885IRAK4 1316/4885

“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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