SCHEMBL20050243

SCHEMBL20050243

CCOC(=O)c1nnc(Cc2ccc(COC)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL756599 0.86 NPSR1 (0.70) NPSR1MAPK1CA1CA2POLB
SCHEMBL26703571 0.86 MAPK1 (0.59) NPSR1MAPK1POLBALDH1A1LMNA
SCHEMBL554576 0.86 NPSR1 (0.52) NPSR1CA1CA2POLBALDH1A1
SCHEMBL16000888 0.76 CA1 (0.47) NPSR1MAPK1CA1CA2POLB
SCHEMBL19416882 0.75 CA1 (0.46) NPSR1MAPK1CA1CA2POLB
SCHEMBL26703814 0.74 POLB (0.51) NPSR1CA1CA2POLBALDH1A1
SCHEMBL7154321 0.74 POLB (0.49) CA1CA2POLBALDH1A1LMNA
SCHEMBL19780070 0.74 KLKB1 (0.60) NPSR1MAPK1
SCHEMBL1219122 0.73 CA1 (0.48) NPSR1MAPK1CA1CA2POLB
SCHEMBL10287538 0.73 CA12 (0.67) NPSR1MAPK1CA1CA2ALDH1A1

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 3 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-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
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 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 (3 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 NPSR1 3509/4885MAPK1 322/4885CA1 4241/4885
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB NPSR1 4297/4885MAPK1 265/4885CA1 2234/4885
US-20210094951-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 NPSR1 3509/4885MAPK1 322/4885CA1 4241/4885

“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.