SCHEMBL25812916

SCHEMBL25812916

CCC(=O)c1nc2cccc(OC)c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL6952309 0.84 CDK9 (0.48) CDK9DYRK1AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL24021017 0.84 CDK9 (0.54) CDK9DYRK1ASMN1; SMN2MEN1KMT2A
SCHEMBL30310501 0.84 CDK9 (0.54) CDK9DYRK1ASMN1; SMN2MEN1KMT2A
SCHEMBL25789988 0.82 MMP13 (0.50) CDK9DYRK1AMTNR1AMTNR1BTSHR
SCHEMBL23835767 0.80 CDK9 (0.45) CDK9DYRK1AMTNR1AMTNR1BSMN1; SMN2
SCHEMBL24450337 0.79 DYRK1A (0.41) CDK9DYRK1ASMN1; SMN2KDM4EHRH4
SCHEMBL23836116 0.78 TSHR (0.46) CDK9DYRK1ASMN1; SMN2MEN1KMT2A
SCHEMBL24740174 0.77 MAOB (0.51) MTNR1AMTNR1BIDO1SMN1; SMN2MEN1
SCHEMBL31345741 0.76 SMN1; SMN2 (0.46) CDK9DYRK1ASMN1; SMN2MEN1KMT2A
SCHEMBL6650617 0.73 CDK9 (0.46) CDK9DYRK1ASMN1; SMN2MEN1KMT2A

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 1 patent. 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

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 CDK9 756/4885DYRK1A 3984/4885MTNR1A 4542/4885

“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.