SCHEMBL25812304

SCHEMBL25812304

CNC(=O)c1cc2cc(C#N)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.52
PYGM P11217 1/20 0.52
ALOX15 P16050 1/20 0.51
CNR2 P34972 1/20 0.49
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
SYK P43405 1/20 0.43
ROCK2 O75116 1/20 0.43
GHSR Q92847 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL24019976 0.85 ALOX15 (0.54) PYGLPYGMALOX15CNR2DRD2
SCHEMBL25768558 0.85 ALOX15 (0.54) PYGLPYGMALOX15CNR2DRD2
SCHEMBL18661961 0.82 KDM4E (0.57) PYGLPYGMALOX15DRD2DRD4
SCHEMBL31069438 0.82 XDH (0.56) PYGLPYGMCNR2DRD2DRD4
SCHEMBL1616056 0.82 XDH (0.56) PYGLPYGMCNR2DRD2DRD4
SCHEMBL1609672 0.81 SMAD3 (0.60) PYGLPYGMCYP19A1PIN1IMPDH2
SCHEMBL1615613 0.80 CYP19A1 (0.49) PYGLPYGMCNR2CYP19A1CYP2D6
SCHEMBL5476861 0.80 PYGL (0.45) PYGLPYGMCNR2DRD2DRD4
SCHEMBL5480809 0.79 CYP19A1 (0.51) PYGLPYGMCNR2DRD2DRD4
SCHEMBL17149929 0.79 MEN1 (0.52) PYGLPYGMCNR2DRD2DRD4

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 PYGL 590/4885PYGM 2511/4885ALOX15 1455/4885

“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.