SCHEMBL22737091

SCHEMBL22737091

COC(=O)c1ncn(Cc2ccc(C)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ KLKB1 P03952 4/20 0.44
▸ KLK1 P06870 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CACNA1G O43497 1/20 0.41
▸ CACNA1H O95180 1/20 0.41
▸ CACNA1I Q9P0X4 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL18366907 0.89 RAB9A (0.48) SMN1; SMN2NOTUMKLKB1KLK1HDAC1
SCHEMBL19228607 0.87 NOTUM (0.44) GAANOTUMKLKB1KLK1HDAC1
SCHEMBL18366885 0.87 HDAC1 (0.52) SMN1; SMN2L3MBTL1NPSR1NOTUMKLKB1
SCHEMBL1414421 0.87 KLKB1 (0.50) SMN1; SMN2NOTUMKLKB1KLK1HDAC1
SCHEMBL23070360 0.85 KLKB1 (0.41) SMN1; SMN2GAANOTUMKLKB1KLK1
SCHEMBL2894916 0.84 NOTUM (0.44) GAANOTUMKLKB1KLK1HDAC1
SCHEMBL22737095 0.84 HDAC1 (0.48) SMN1; SMN2NOTUMKLKB1KLK1HDAC1
SCHEMBL22737093 0.84 CACNA1G (0.44) SMN1; SMN2L3MBTL1KLKB1KLK1HDAC1
SCHEMBL22737100 0.83 HDAC1 (0.50) SMN1; SMN2KLKB1KLK1HDAC1HDAC6
SCHEMBL4831345 0.83 MAPT (0.51) SMN1; SMN2L3MBTL1HDAC1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-08 — — US disclosed
US-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-08 — — US disclosed
US-20210094951-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-04-01 — — US disclosed
WO-2021046515-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-11 — — WO disclosed
WO-2020239074-A1 BICYCLIC COMPOUND AS RIP-1 KINASE INHIBITOR AND APPLICATION THEREOF 南京明德新药研发有限公司 2020-12-03 — — WO 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 (2 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-11718612-B2 Inhibitors of receptor interacting protein kinase I for the treatment of disease RIPK1, RIPK2, RIPK4 SMN1; SMN2 998/4885GAA 2476/4885L3MBTL1 2811/4885
US-20210094951-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 SMN1; SMN2 998/4885GAA 2476/4885L3MBTL1 2811/4885

“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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