SCHEMBL21150320

SCHEMBL21150320

CC(C)OC(=O)[C@@](N)(CC(C)(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ GPER1 Q99527 2/20 0.33
▸ EP300 Q09472 5/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ ACHE P22303 3/20 0.32
▸ RET P07949 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ GRM2 Q14416 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
SCHEMBL28403736 0.88 MKNK1 (0.35) MKNK1MKNK2BRD4CREBBPGPER1
SCHEMBL28403738 0.88 MKNK1 (0.35) MKNK1MKNK2BRD4CREBBPGPER1
SCHEMBL30557222 0.86 BRD4 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL20908298 0.83 FGFR1 (0.34) HSP90AA1
SCHEMBL21148868 0.83 FGFR1 (0.34) HSP90AA1
SCHEMBL20907580 0.83 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21150362 0.83 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL29640359 0.82 MKNK1 (0.32) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL20908223 0.82 MKNK1 (0.32) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL23115147 0.78 POLQ (0.34) —

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-10774053-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20190210978-A1 HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-07-11 — — 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 (2 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-10774053-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN MKNK1 881/4885MKNK2 1707/4885BRD4 1637/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN MKNK1 778/4885MKNK2 1358/4885BRD4 2157/4885

“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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