SCHEMBL25586388

SCHEMBL25586388

CN1C(=O)CCOc2ccc(C#Cc3ccccn3)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ HCRTR1 O43613 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ RIPK1 Q13546 8/20 0.49
▸ ERN1 O75460 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ GRM5 P41594 2/20 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
SCHEMBL23081899 0.91 RIPK1 (0.49) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL23076327 0.83 RIPK1 (0.48) NPC1RAB9ARIPK1GRM5
SCHEMBL23075920 0.83 RIPK1 (0.48) RIPK1GRM5
SCHEMBL25586411 0.82 GRM5 (0.40) RIPK1GRM5
SCHEMBL23900311 0.81 GRM5 (0.51) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL25584836 0.81 RIPK1 (0.47) RIPK1GRM5
SCHEMBL30387134 0.81 RIPK1 (0.47) RIPK1GRM5
SCHEMBL25584909 0.81 MAP3K14 (0.38) NPC1RAB9ARIPK1GRM5
SCHEMBL24076721 0.80 RIPK1 (0.56) NPC1HCRTR1RAB9APOLBPTPN7
SCHEMBL25587259 0.78 NPC1 (0.47) NPC1HCRTR1RAB9APOLBPTPN7

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 NPC1 2143/4885HCRTR1 2933/4885RAB9A 1288/4885

“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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