SCHEMBL23925748

SCHEMBL23925748

NC(=O)c1ncncc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.36
TSHR P16473 1/20 0.36
MC4R P32245 1/20 0.36
ADRA1A P35348 1/20 0.36
MC3R P41968 1/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
NTRK1 P04629 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
AR P10275 1/20 0.32
SIRT6 Q8N6T7 2/20 0.31
MAP2K1 Q02750 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
SARM1 Q6SZW1 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
SIRT4 Q9Y6E7 1/20 0.31

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
SCHEMBL629032 0.83 HCAR2 (0.44) TSHRCCNCCDK8NTRK1HCAR2
SCHEMBL30978924 0.83 HCAR2 (0.44) TSHRCCNCCDK8NTRK1HCAR2
SCHEMBL9956039 0.79 NTRK1 (0.33) NTRK1HCAR2SPR
SCHEMBL1055362 0.77 SPR (0.44) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL28170830 0.77 NNMT (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15006471 0.75 SIRT3 (0.41) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL30338528 0.75 ADORA3 (0.36) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15228341 0.75 NTRK1 (0.43) NTRK1HCAR2LMNA
SCHEMBL29574660 0.75 NPSR1 (0.43) TSHRNTRK1ALDH1A1
SCHEMBL630362 0.75 NPSR1 (0.43) TSHRNTRK1ALDH1A1

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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-01 US disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 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 (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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL ADORA3 3134/4885TSHR 4585/4885MC4R 4614/4885

“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.