SCHEMBL25853279

SCHEMBL25853279

CCNC(=O)c1nc2ccc(C)cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.64
EGLN1 Q9GZT9 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH4 Q9H3N8 2/20 0.52
ABL1 P00519 2/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 2/20 0.48
HPSE Q9Y251 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46

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
SCHEMBL17154105 0.86 EGLN1 (0.72) PIN1EGLN1SMN1; SMN2HRH4HRH3
SCHEMBL24450206 0.81 HDAC3 (0.58) SMN1; SMN2ABL1GAAHTT
SCHEMBL28353469 0.81 KMT2A (0.57) PIN1SMN1; SMN2HRH4ABL1POLB
SCHEMBL25764927 0.80 PIN1 (0.64) PIN1EGLN1SMN1; SMN2HRH4HSD17B10
SCHEMBL5509574 0.79 PIN1 (1.00) PIN1SMN1; SMN2HRH4HSD17B10TP53
SCHEMBL14189685 0.78 ABL1 (0.81) ABL1
SCHEMBL29145209 0.78 PIN1 (0.69) PIN1EGLN1SMN1; SMN2HRH4HSD17B10
SCHEMBL11211769 0.77 PIN1 (0.73) PIN1SMN1; SMN2HRH4HSD17B10TP53
SCHEMBL25789859 0.77 NAMPT (0.58) EGLN1SMN1; SMN2HRH4ABL1HRH3
SCHEMBL25768258 0.76 HRH4 (0.57) EGLN1SMN1; SMN2HRH4HRH3TP53

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 PIN1 316/4885EGLN1 1066/4885SMN1; SMN2 3613/4885

“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.