SCHEMBL25758887

SCHEMBL25758887

COc1nccc2[nH]c(C(=O)NC(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.37
RIPK1 Q13546 1/20 0.37
HPGDS O60760 1/20 0.36
ALOX15 P16050 1/20 0.36
PDE10A Q9Y233 2/20 0.35
KDM5A P29375 1/20 0.35
CHRM2 P08172 1/20 0.34
GRM5 P41594 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
FDPS P14324 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
MYC P01106 1/20 0.34
POLB P06746 1/20 0.34
IDH1 O75874 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL24112861 0.86 PKN1 (0.40) EGLN1HPGDSPDE10AJAK2
SCHEMBL25768636 0.83 EGLN1 (0.41) EGLN1RIPK1HPGDSALOX15PDE10A
SCHEMBL24740638 0.83 ALOX15 (0.42) EGLN1RIPK1ALOX15KDM5ACHRM2
SCHEMBL23836107 0.77 MAOB (0.55) HPGDSALOX15POLBPARP1
SCHEMBL24019698 0.77 ALOX15 (0.37) EGLN1RIPK1HPGDSALOX15KDM5A
SCHEMBL25758900 0.75 ALOX15 (0.40) EGLN1ALOX15POLB
SCHEMBL24019690 0.75 ALOX15 (0.40) EGLN1ALOX15POLB
SCHEMBL24028986 0.75 KMT2A (0.50) RIPK1PDE10A
SCHEMBL24740112 0.74 MEN1 (0.48) RIPK1ALOX15KDM5AFDPSPOLB
SCHEMBL22533855 0.73 AAK1 (0.39) ALOX15PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV EGLN1 1066/4885RIPK1 2050/4885HPGDS 766/4885

“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.