SCHEMBL17616522

SCHEMBL17616522

Cc1nn(C)c2c(C(C)(C)C)ccc(C#N)c12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 10/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL16154726 0.84 LMNA (0.37) ARKDM4EMAPTNPSR1
SCHEMBL16154713 0.79 PDE4A (0.33) ALDH1A1GAAMAPT
SCHEMBL16154712 0.76 MAPK8 (0.33) MAPT
SCHEMBL17616516 0.74 PDE10A (0.38) ALDH1A1MAPT
SCHEMBL22886002 0.72 AR (0.34) AR
SCHEMBL13019453 0.68 ALDH1A1 (0.38) ALDH1A1GAAKDM4E
SCHEMBL27190589 0.68 IMPDH2 (0.39) ALDH1A1GAAKDM4E
SCHEMBL16154728 0.67 PIK3CD (0.30) —
SCHEMBL17616526 0.66 ADORA2A (0.37) ALDH1A1MAPT
SCHEMBL16006423 0.66 LMNA (0.40) ALDH1A1GAAKDM4EMAPTNPSR1

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-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-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 — — US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 — — 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 AR 3595/4885ALDH1A1 3650/4885GAA 40/4885
US-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD AR 3851/4885ALDH1A1 372/4885GAA 18/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 AR 3595/4885ALDH1A1 3650/4885GAA 40/4885

“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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