SCHEMBL17660700

SCHEMBL17660700

CC(C)O[C@H]1CCN(C2COC2)C[C@H]1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.32
MAP3K12 Q12852 5/20 0.32
TBK1 Q9UHD2 1/20 0.31
DLK1 P80370 1/20 0.31
KCNH2 Q12809 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
SCHEMBL17660702 0.89 KDM2B (0.32) KCNH2
SCHEMBL17665065 0.83 LRRK2 (0.33) LRRK2KCNH2
SCHEMBL25792521 0.79 LRRK2 (0.33) LRRK2
SCHEMBL20457912 0.78 MAP3K12 (0.30) MAP3K12
SCHEMBL24311874 0.77 LRRK2 (0.31) LRRK2MAP3K12
SCHEMBL21859947 0.77 LRRK2 (0.31) LRRK2MAP3K12
SCHEMBL17306142 0.76 MAP3K12 (0.32) MAP3K12DLK1
SCHEMBL21204597 0.74 LRRK2 (0.32) LRRK2KCNH2
SCHEMBL20929292 0.74 HTR2A (0.31)
SCHEMBL21610993 0.74 LRRK2 (0.32) LRRK2KCNH2

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-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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 (3 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS LRRK2 381/4885MAP3K12 107/4885TBK1 4/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS LRRK2 381/4885MAP3K12 107/4885TBK1 4/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS LRRK2 381/4885MAP3K12 107/4885TBK1 4/4885

“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.