SCHEMBL30729153

SCHEMBL30729153

Cc1n[nH]c2cnc(N(C)C3CCOCC3)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ LRRK2 Q5S007 5/20 0.34
▸ PDE6D O43924 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ PDE6G P18545 1/20 0.34
▸ PDE6B P35913 1/20 0.34
▸ PDE6C P51160 1/20 0.34
▸ PDE6H Q13956 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ FFAR2 O15552 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
SCHEMBL27074710 1.00 IRAK4 (0.35) IRAK4LRRK2PDE6DPDE6APDE6G
SCHEMBL27074802 0.79 LRRK2 (0.35) LRRK2PDE6DPDE6APDE6GPDE6B
SCHEMBL30729191 0.79 LRRK2 (0.35) LRRK2PDE6DPDE6APDE6GPDE6B
SCHEMBL27074906 0.73 PDE10A (0.38) IRAK4LRRK2PDE6DPDE6APDE6G
SCHEMBL27074696 0.73 PDE10A (0.38) IRAK4LRRK2PDE6DPDE6APDE6G
SCHEMBL27074745 0.72 PDE10A (0.37) IRAK4LRRK2PDE6DPDE6APDE6G
SCHEMBL27075031 0.70 PDE6D (0.37) LRRK2PDE6DPDE6APDE6GPDE6B
SCHEMBL30729184 0.70 PDE6D (0.37) LRRK2PDE6DPDE6APDE6GPDE6B
SCHEMBL27074723 0.68 PDE6D (0.38) IRAK4LRRK2PDE6DPDE6APDE6G
SCHEMBL3766783 0.67 LRRK2 (0.54) IRAK4LRRK2

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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-02-01 — — 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-20240034736-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 IRAK4 3981/4885LRRK2 4153/4885PDE6D 2802/4885

“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