SCHEMBL24113154

SCHEMBL24113154

Cc1cccc2[nH]cc(C[C@H](N)C(N)=O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.56
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
MPO P05164 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR3C1 P04150 1/20 0.46
NR3C2 P08235 1/20 0.46
ADRB3 P13945 1/20 0.45
SCN9A Q15858 2/20 0.45
TACR1 P25103 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43

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
SCHEMBL30310459 1.00 GPR84 (0.56) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL29556951 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL21055747 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL29406297 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL109838 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL109837 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL16975866 0.89 GPR84 (0.56) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL18028997 0.89 KMT2A (0.62) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL24113156 0.85 GPR84 (0.52) GPR84KDM4EMEN1MAPTKMT2A
SCHEMBL30310656 0.85 GPR84 (0.52) GPR84KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
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
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV GPR84 4823/4885KDM4E 3122/4885MEN1 4306/4885

“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.