SCHEMBL16154708

SCHEMBL16154708

CC(C)(C)c1cccc2c3c(oc12)C=NC3

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ PRKDC P78527 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
SCHEMBL21111351 0.72 CA2 (0.46) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL25485069 0.72 GABRA1 (0.31) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL17616519 0.71 CA2 (0.30) CA2
SCHEMBL27102080 0.68 CA2 (0.39) GABRA1GABRB2CA2KIF11
SCHEMBL12411501 0.65 MEN1 (0.55) CA2KIF11
SCHEMBL24604798 0.65 MEN1 (0.41) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL16185334 0.65 GABRA1 (0.47) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL16282370 0.65 KDM4E (0.40) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL15852947 0.64 CA2 (0.38) GABRA1GABRB2CA2KIF11PRKDC
SCHEMBL20650336 0.64 CA2 (0.38) GABRA1GABRB2CA2KIF11PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 GABRA1 3957/4885GABRB2 3758/4885CA2 3870/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD GABRA1 4103/4885GABRB2 4408/4885CA2 4656/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 GABRA1 3957/4885GABRB2 3758/4885CA2 3870/4885

“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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