SCHEMBL20916168

SCHEMBL20916168

COC(=O)c1nn(-c2cccc(C#CC3(O)C(=O)N(C)C4CC43)c2)c2ncccc12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.83
▸ PKD1 P98161 2/20 0.83

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
SCHEMBL19912127 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19912052 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20927177 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL29948039 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19912135 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20916219 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL20916215 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL29450144 0.91 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL19899426 0.86 MAP3K14 (0.66) MAP3K14PKD1
SCHEMBL20927191 0.78 MAP3K14 (0.77) MAP3K14PKD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641894-B 2-azabicyclo [3.1.0] hex-3-one derivatives and methods of use 豪夫迈·罗氏有限公司 2022-09-09 — — CN disclosed
EP-3504206-B1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2022-03-23 — — EP disclosed
US-10550117-B2 2-azabicyclo[3.1.0]hexan-3-one derivatives and methods of use GENENTECH, INC. (US) 2020-02-04 — — US disclosed
US-10550117-B2 2-azabicyclo[3.1.0]hexan-3-one derivatives and methods of use GENENTECH, INC. (US) 2020-02-04 — — US disclosed
US-20190119274-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE GENENTECH, INC. (US) 2019-04-25 — — US disclosed
US-20190119274-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE GENENTECH, INC. (US) 2019-04-25 — — US disclosed
US-20160130295-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-12 — — 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-20160130295-A1 MODULAR RADIOCHEMISTRY SYNTHESIS SYSTEM RAD18, MVD, USP18 MAP3K14 1409/4885PKD1 4704/4885
US-10550117-B2 2-azabicyclo[3.1.0]hexan-3-one derivatives and methods of use NFKB2, NFKBIA, NFKB1 MAP3K14 858/4885PKD1 2678/4885
US-20190119274-A1 2-AZABICYCLO[3.1.0]HEXAN-3-ONE DERIVATIVES AND METHODS OF USE NFKB2, NFKBIA, NFKB1 MAP3K14 858/4885PKD1 2678/4885

“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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