SCHEMBL25584896

SCHEMBL25584896

CN1C(=O)CCOc2ccc(C#Cc3cnc4ccccn34)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.35
▸ RIPK1 Q13546 9/20 0.33
▸ ABL1 P00519 2/20 0.33
▸ ABL2 P42684 1/20 0.33
▸ MAP3K14 Q99558 4/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 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
SCHEMBL25584880 0.77 TDP1 (0.47) GRM5RIPK1MAP3K14
SCHEMBL25586388 0.77 NPC1 (0.49) GRM5RIPK1
SCHEMBL30387134 0.76 RIPK1 (0.47) GRM5RIPK1GABRA1GABRG2GABRB3
SCHEMBL25584836 0.76 RIPK1 (0.47) GRM5RIPK1GABRA1GABRG2GABRB3
SCHEMBL25586411 0.75 GRM5 (0.40) GRM5RIPK1MAP3K14
SCHEMBL23075920 0.74 RIPK1 (0.48) GRM5RIPK1MAP3K14
SCHEMBL25584909 0.74 MAP3K14 (0.38) GRM5RIPK1MAP3K14PKM
SCHEMBL23076327 0.72 RIPK1 (0.48) GRM5RIPK1PKMSMN1; SMN2GABRA1
SCHEMBL23081626 0.72 MAP3K14 (0.46) RIPK1MAP3K14
SCHEMBL23085749 0.72 MAP3K14 (0.37) GRM5MAP3K14GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-06-01 — — 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 (1 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-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 GRM5 3049/4885RIPK1 1/4885ABL1 2507/4885

“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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