SCHEMBL20262308

SCHEMBL20262308

COC(=O)C/C=C/c1c(NC(=O)OC(C)(C)C)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ ITGA4 P13612 1/20 0.35
▸ ITGB7 P26010 1/20 0.35
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ IDO1 P14902 2/20 0.32
▸ BRD9 Q9H8M2 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA2 P00918 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
SCHEMBL20262310 1.00 MAPK14 (0.37) MAPK14ITGA4ITGB7CYP4F2CYP4A11
SCHEMBL28847399 0.89 MAPK14 (0.35) MAPK14ITGA4ITGB7GSK3BDYRK1A
SCHEMBL6133365 0.81 BRD9 (0.35) MAPK14ITGA4ITGB7GSK3BDYRK1A
SCHEMBL6133366 0.81 BRD9 (0.35) MAPK14ITGA4ITGB7GSK3BDYRK1A
SCHEMBL6133253 0.80 MAPK14 (0.40) MAPK14ITGA4ITGB7GSK3BDYRK1A
SCHEMBL20262324 0.78 MAPK14 (0.35) MAPK14CYP4F2CYP4A11GSK3BDYRK1A
SCHEMBL20262326 0.78 MAPK14 (0.35) MAPK14CYP4F2CYP4A11GSK3BDYRK1A
SCHEMBL20262397 0.74 ITGA4 (0.36) MAPK14ITGA4ITGB7GSK3BDYRK1A
SCHEMBL2173526 0.73 MAPK1 (0.41) MAPK14GSK3BDYRK1ACNR2IDO1
SCHEMBL24255779 0.72 GSK3B (0.37) MAPK14ITGA4ITGB7GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4095138-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2022-11-30 — — EP disclosed
EP-3555093-B1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-09-21 — — EP disclosed
CN-110072863-B RIP1 kinase inhibitors and methods of use 豪夫迈·罗氏有限公司 2022-08-30 — — CN disclosed
US-11072607-B2 Inhibitors of RIP1 kinase and methods of use thereof GENENTECH, INC. (US) 2021-07-27 — — US disclosed
US-11072607-B2 Inhibitors of RIP1 kinase and methods of use thereof GENENTECH, INC. (US) 2021-07-27 — — US disclosed
EP-3555093-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2019-10-23 — — EP disclosed
US-20180170927-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-06-21 — — US disclosed
WO-2018109097-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-06-21 — — WO disclosed
US-20180170927-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-06-21 — — US disclosed
US-20180170927-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-06-21 — — 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-11072607-B2 Inhibitors of RIP1 kinase and methods of use thereof RIPK1, RIPK2, RIPK4 MAPK14 438/4885ITGA4 4766/4885ITGB7 4262/4885
US-20180170927-A1 INHIBITORS OF RIP1 KINASE AND METHODS OF USE THEREOF RIPK1, RIPK2, RIPK4 MAPK14 438/4885ITGA4 4766/4885ITGB7 4262/4885

“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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