SCHEMBL23900266

SCHEMBL23900266

CN1C(=O)CCOc2cc(C#CCN3CCOCC3)cnc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 4/20 0.49
▸ GRM5 P41594 5/20 0.42
▸ KCNJ5 P48544 2/20 0.37
▸ KCNJ3 P48549 2/20 0.37
▸ MMP13 P45452 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL22590518 0.78 RIPK1 (0.47) RIPK1GRM5MMP13
SCHEMBL23900235 0.76 RIPK1 (0.46) RIPK1GRM5PIK3CDPIK3R1
SCHEMBL23900349 0.75 RIPK1 (0.48) RIPK1GRM5
SCHEMBL23900311 0.73 GRM5 (0.51) RIPK1GRM5
SCHEMBL22590552 0.70 LMNA (0.47) RIPK1
SCHEMBL13778489 0.67 KCNJ5 (0.47) GRM5KCNJ5KCNJ3MMP13EGFR
SCHEMBL30832137 0.66 RIPK1 (0.41) RIPK1GRM5KCNJ5KCNJ3MMP13
SCHEMBL3728394 0.64 GRM5 (0.46) GRM5KCNJ5KCNJ3MMP13EGFR
SCHEMBL30250586 0.62 RIPK1 (0.54) RIPK1
SCHEMBL21500799 0.62 RIPK1 (0.39) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584758-B2 RIP1K inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2023-02-21 — — US disclosed
US-20210317135-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-14 — — US disclosed
WO-2021203011-A1 RIP1K INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-10-07 — — WO 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-11584758-B2 RIP1K inhibitors RIPK1, RIPK2, RIPK3 RIPK1 1/4885GRM5 2384/4885KCNJ5 3054/4885
US-20210317135-A1 RIP1K INHIBITORS RIPK1, RIPK2, RIPK3 RIPK1 1/4885GRM5 2384/4885KCNJ5 3054/4885

“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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