SCHEMBL21150362

SCHEMBL21150362

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.36
▸ EP300 Q09472 5/20 0.36
▸ RET P07949 4/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ CREBBP Q92793 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL20907580 1.00 JAK1 (0.36) JAK1EP300RETMKNK1MKNK2
SCHEMBL28403736 0.88 MKNK1 (0.35) EP300RETMKNK1MKNK2CREBBP
SCHEMBL28403738 0.88 MKNK1 (0.35) EP300RETMKNK1MKNK2CREBBP
SCHEMBL20908223 0.86 MKNK1 (0.32) EP300MKNK1MKNK2CREBBPBRD4
SCHEMBL29640359 0.86 MKNK1 (0.32) EP300MKNK1MKNK2CREBBPBRD4
SCHEMBL30557222 0.83 BRD4 (0.35) EP300RETMKNK1MKNK2CREBBP
SCHEMBL21150320 0.83 MKNK1 (0.34) EP300RETMKNK1MKNK2CREBBP
SCHEMBL30557239 0.77 EP300 (0.41) JAK1EP300RETCREBBPBRD4
SCHEMBL28404543 0.76 CTSS (0.34) EP300
SCHEMBL21112970 0.75 CREBBP (0.36) EP300RETMKNK1MKNK2CREBBP

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 JAK1 935/4885EP300 880/4885RET 4730/4885
US-20190210978-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, HPN JAK1 975/4885EP300 1399/4885RET 4132/4885

“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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