SCHEMBL24076698

SCHEMBL24076698

CN1C(=O)[C@@H](N)COc2ccc(C#Cc3cncn3C)cc21

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ PSMD14 O00487 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RIPK1 Q13546 17/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL25586414 0.84 RIPK1 (0.44) RIPK1
SCHEMBL25878873 0.82 RIPK1 (0.55) RIPK1
SCHEMBL25584880 0.80 TDP1 (0.47) TDP1PSMD14RXFP1RIPK1GPR84
SCHEMBL22968458 0.78 RIPK1 (0.50) RIPK1
SCHEMBL24076700 0.78 RIPK1 (0.41) RIPK1
SCHEMBL24076721 0.77 RIPK1 (0.56) RXFP1RIPK1
SCHEMBL22968464 0.77 RIPK1 (0.54) RIPK1
SCHEMBL21531314 0.76 RIPK1 (0.55) RIPK1
SCHEMBL21531311 0.76 RIPK1 (0.55) RIPK1
SCHEMBL22968453 0.74 RIPK1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210371430-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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