SCHEMBL25758477

SCHEMBL25758477

C=C1Nc2ccccc2CN1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.46
CREBBP Q92793 2/20 0.46
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
THRB P10828 1/20 0.35
HK1 P19367 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL828518 0.81 BRD4 (0.61) BRD4CREBBPNPC1MAPTAHR
SCHEMBL10061695 0.77 BRD4 (0.65) BRD4CREBBPNPC1MAPTRAB9A
SCHEMBL24405546 0.70 NPC1 (0.43) BRD4CREBBPNPC1MAPTRAB9A
SCHEMBL10256676 0.69 THRB (0.39) NPC1MAPTRAB9AKDM4EMEN1
SCHEMBL15723720 0.69 SMN1; SMN2 (0.36) BRD4CREBBPMAPTKDM4EMEN1
SCHEMBL12848410 0.69 BRD4 (0.54) BRD4CREBBPNPC1MAPTAHR
SCHEMBL25987598 0.69
SCHEMBL2603742 0.68 BRD4 (0.49) BRD4CREBBPNPC1MAPTAHR
SCHEMBL16624012 0.67 ALDH1A1 (0.42) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL14665436 0.67 BRD4 (0.47) BRD4CREBBPNPC1MAPTRAB9A

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 BRD4 2921/4885CREBBP 2433/4885NPC1 545/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV BRD4 3186/4885CREBBP 2437/4885NPC1 481/4885

“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.