SCHEMBL25587259

SCHEMBL25587259

CN1C(=O)CCSc2ccc(C#Cc3ccccn3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ HCRTR1 O43613 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ PTPN7 P35236 1/20 0.47
▸ DUSP3 P51452 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ERN1 O75460 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GRM5 P41594 3/20 0.39
▸ RIPK1 Q13546 1/20 0.38

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
SCHEMBL25585093 0.82 LMNA (0.38) NPC1RAB9APOLBLMNAMAPT
SCHEMBL25587254 0.81 CYP11B1 (0.47) LMNAUSP2GRM5
SCHEMBL25586388 0.78 NPC1 (0.49) NPC1RAB9AHCRTR1POLBPTPN7
SCHEMBL23081899 0.76 RIPK1 (0.49) NPC1RAB9AHCRTR1POLBPTPN7
SCHEMBL25586890 0.75 LMNA (0.38) POLBLMNAMAPTMAPK1HTT
SCHEMBL25584792 0.72 GRM5 (0.39) NPC1RAB9AHCRTR1POLBPTPN7
SCHEMBL8853356 0.70 GSK3B (0.54) RAB9ALMNAMAPTHTTTP53
SCHEMBL25585646 0.70 ALDH1A1 (0.51) NPC1RAB9APOLBLMNAMAPT
SCHEMBL24076716 0.69 RIPK1 (0.48) RIPK1
SCHEMBL25586775 0.69 LMNA (0.44) POLBLMNAMAPTHTTSMN1; SMN2

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 2143/4885RAB9A 1288/4885HCRTR1 2933/4885

“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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