SCHEMBL24740425

SCHEMBL24740425

CC(C)NC(=O)c1cc2cccnc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.64
CNR2 P34972 1/20 0.54
HRH4 Q9H3N8 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
ALOX15 P16050 1/20 0.51
MAP3K5 Q99683 1/20 0.50
DAO P14920 1/20 0.48
NSD2 O96028 1/20 0.46
SETD2 Q9BYW2 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
HDAC1 Q13547 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
REN P00797 1/20 0.44

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
SCHEMBL17149623 0.85 MEN1 (0.50) RIPK1CNR2HRH4HRH3MAP3K5
SCHEMBL15848423 0.83 RIPK1 (0.62) RIPK1CNR2HRH4HRH3ALOX15
SCHEMBL30731127 0.82 CCNK (0.54) RIPK1CNR2HRH4HRH3MAP3K5
SCHEMBL4271585 0.80 HRH4 (0.57) RIPK1CNR2HRH4HRH3ALOX15
SCHEMBL13808700 0.80 KDM4E (0.59) RIPK1CNR2HRH4HRH3MAP3K5
SCHEMBL31088687 0.80 HRH4 (0.57) RIPK1CNR2HRH4HRH3ALOX15
Hydrochloric Acid SCHEMBL1879831 0.79 HRH4 (0.56) RIPK1CNR2HRH4HRH3ALOX15
SCHEMBL30731139 0.78 CCNK (0.55) RIPK1CNR2HRH4HRH3HDAC1
SCHEMBL296469 0.78 HRH4 (0.57) RIPK1CNR2HRH4HRH3DAO
SCHEMBL13753384 0.77 DRD2 (0.68) ALOX15DAOTAS1R3TAS1R1DRD2

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-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
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 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 (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-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL RIPK1 1042/4885CNR2 2936/4885HRH4 4013/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV RIPK1 2050/4885CNR2 2191/4885HRH4 4259/4885

“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.