SCHEMBL21940571

SCHEMBL21940571

COCCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.39
▸ CYP1A2 P05177 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPE Q05469 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
SCHEMBL21819814 0.87 FFAR1 (0.35) FFAR1LIPE
SCHEMBL30154016 0.85 FFAR1 (0.35) FFAR1
SCHEMBL24896803 0.83 LRRK2 (0.36) LRRK2CYP1A2IRAK4LIPC
SCHEMBL30384644 0.83 LRRK2 (0.36) LRRK2CYP1A2IRAK4LIPC
SCHEMBL20371661 0.82 FFAR1 (0.37) FFAR1
SCHEMBL24896712 0.81 CYP1A2 (0.34) LRRK2CYP1A2FFAR1
SCHEMBL25239415 0.81 CYP1A2 (0.35) LRRK2CYP1A2FFAR1
SCHEMBL19626238 0.79 DGAT1 (0.34) FFAR1
SCHEMBL20154072 0.78 UCHL1 (0.45) —
SCHEMBL22405990 0.78 FFAR1 (0.34) FFAR1

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-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-06-29 — — US disclosed
EP-3423445-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2020-04-01 — — 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-20230203043-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IKZF3, INTS9, CYP2C9 LRRK2 2052/4885CYP1A2 279/4885FFAR1 4479/4885

“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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