SCHEMBL24076640

SCHEMBL24076640

Cc1c(C#Cc2cnn(C)c2)sc2c1SC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ BRD3 Q15059 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ HAO1 Q9UJM8 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL25584470 0.78 GAA (0.39) GAA
SCHEMBL24077311 0.76 RIPK1 (0.51) ACACBBRD4BRD2BRD3
SCHEMBL24076641 0.76 BRD4 (0.42) BRD4BRD2BRD3
SCHEMBL24075967 0.75 RIPK1 (0.51) —
SCHEMBL24075968 0.75 RIPK1 (0.49) BRD4BRD2BRD3
SCHEMBL24076720 0.75 RIPK1 (0.49) BRD4BRD2BRD3
SCHEMBL24075969 0.75 RIPK1 (0.49) BRD4BRD2BRD3
SCHEMBL24076677 0.75 RIPK1 (0.51) BRD4BRD2BRD3
SCHEMBL24076642 0.71 GAA (0.38) GAA
SCHEMBL25586207 0.71 BRD4 (0.35) ACACBBRD4BRD2BRD3HAO1

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-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
US-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2021-12-02 — — 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-20210371430-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 ACACB 2389/4885BRD4 1367/4885BRD2 1906/4885
US-20230167129-A1 HETEROCYCLIC AMIDE FOR INHIBITING RIP1 KINASE AND USES THEREOF RIPK1, RIPK3, RIPK4 ACACB 2389/4885BRD4 1367/4885BRD2 1906/4885

“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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