SCHEMBL25584909

SCHEMBL25584909

CN1C(=O)CCOc2ccc(C#Cc3ccn(C)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 12/20 0.38
▸ RIPK1 Q13546 4/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ACACB O00763 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
SCHEMBL23075920 0.82 RIPK1 (0.48) MAP3K14RIPK1GRM5PDE3BPDE3A
SCHEMBL25586411 0.81 GRM5 (0.40) MAP3K14RIPK1GRM5PDE3BPDE3A
SCHEMBL25586388 0.81 NPC1 (0.49) RIPK1GRM5NPC1RAB9A
SCHEMBL23076327 0.80 RIPK1 (0.48) RIPK1GRM5NPC1PKMRAB9A
SCHEMBL25586520 0.78 RIPK1 (0.47) RIPK1
SCHEMBL30387134 0.77 RIPK1 (0.47) RIPK1GRM5
SCHEMBL25584836 0.77 RIPK1 (0.47) RIPK1GRM5
SCHEMBL23085749 0.77 MAP3K14 (0.37) MAP3K14GRM5PDE3BPDE3AACACB
SCHEMBL23081626 0.77 MAP3K14 (0.46) MAP3K14RIPK1
SCHEMBL23085558 0.76 GABRA1 (0.41) MAP3K14RIPK1GRM5PDE3BPDE3A

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 MAP3K14 54/4885RIPK1 1/4885GRM5 3049/4885

“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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