SCHEMBL25584880

SCHEMBL25584880

CN1C(=O)CCOc2ccc(C#Cc3cncn3C)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ PSMD14 O00487 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.40
▸ PIKFYVE Q9Y2I7 2/20 0.37
▸ MAOB P27338 1/20 0.36
▸ MAP3K14 Q99558 8/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ NMT1 P30419 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL25586411 0.82 GRM5 (0.40) MAP3K14GRM5PDE3BPDE3ARIPK1
SCHEMBL30387134 0.81 RIPK1 (0.47) GRM5RIPK1
SCHEMBL25584836 0.81 RIPK1 (0.47) GRM5RIPK1
SCHEMBL24076698 0.80 TDP1 (0.44) TDP1PSMD14RXFP1GPR84RIPK1
SCHEMBL23075920 0.79 RIPK1 (0.48) MAP3K14GRM5PDE3BPDE3ARIPK1
SCHEMBL25584896 0.77 GRM5 (0.35) MAP3K14GRM5RIPK1
SCHEMBL25584909 0.76 MAP3K14 (0.38) MAP3K14GRM5PDE3BPDE3ARIPK1
SCHEMBL23081626 0.76 MAP3K14 (0.46) MAP3K14RIPK1
SCHEMBL23085749 0.76 MAP3K14 (0.37) MAP3K14GRM5PDE3BPDE3A
SCHEMBL23085558 0.76 GABRA1 (0.41) MAP3K14GRM5PDE3BPDE3ARIPK1

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 TDP1 1005/4885PSMD14 1598/4885RXFP1 577/4885

“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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