SCHEMBL25758652

SCHEMBL25758652

C=C1Nc2ccccc2[C@@]1(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
HTR5A P47898 2/20 0.38
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
AKR1B1 P15121 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL14770886 0.84 PDK2 (0.47) PDK2PDK4HTR5AMAPK1LMNA
SCHEMBL24029074 0.77 PDK2 (0.60) PDK2PDK4MAPK1LMNAALDH1A1
SCHEMBL10311219 0.77 PDK2 (0.60) PDK2PDK4MAPK1LMNAALDH1A1
SCHEMBL844744 0.75 PDK2 (0.57) PDK2PDK4HTR5ALMNAKMT2A
SCHEMBL30242138 0.75 PDK2 (0.57) PDK2PDK4HTR5ALMNAKMT2A
SCHEMBL8135159 0.69 PDK2 (0.34) PDK2PDK4HTR5AMAPK1LMNA
SCHEMBL14691238 0.69 PDK2 (0.43) PDK2PDK4HTR5AMAPK1LMNA
SCHEMBL12165439 0.67 KMT2A (0.44) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL12165443 0.67 KMT2A (0.44) PDK2PDK4LMNAKMT2AMEN1
SCHEMBL10268887 0.67 PDK2 (0.38) PDK2PDK4HTR5AKMT2AAKR1B1

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-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 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-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL PDK2 1714/4885PDK4 2777/4885HTR5A 4019/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV PDK2 1707/4885PDK4 2983/4885HTR5A 3995/4885

“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.