SCHEMBL29326326

SCHEMBL29326326

N#Cc1ncccc1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
METAP2 P50579 2/20 0.41
NPEPPS P55786 1/20 0.38
ITGA4 P13612 2/20 0.37
ITGB7 P26010 2/20 0.37
PIM1 P11309 1/20 0.37
IDO1 P14902 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM4 Q14833 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
FEN1 P39748 1/20 0.35
GAA P10253 2/20 0.35
MAT2A P31153 1/20 0.35
F10 P00742 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL27378009 0.90 METAP2 (0.42) PRMT5WDR77METAP2NPEPPSIDO1
SCHEMBL29326246 0.86 METAP2 (0.43) METAP2NPEPPSITGA4ITGB7IDO1
SCHEMBL29326335 0.86 NPEPPS (0.43) NPEPPSITGA4ITGB7PIM1TDP1
SCHEMBL29326328 0.85 IDO1 (0.41) PRMT5WDR77METAP2NPEPPSITGA4
SCHEMBL29326224 0.83 NPEPPS (0.48) NPEPPSITGA4ITGB7TDP1KDM4E
SCHEMBL29326233 0.81 FEN1 (0.45) NPEPPSPIM1IDO1TDP1KDM4E
SCHEMBL29326239 0.80 FEN1 (0.44) NPEPPSTDP1KDM4EHTTFEN1
SCHEMBL29326363 0.79 TNKS2 (0.50) NPEPPSITGA4ITGB7TDP1KDM4E
SCHEMBL29326236 0.79 NPEPPS (0.44) NPEPPSITGA4ITGB7TDP1KDM4E
SCHEMBL29326226 0.79 NPEPPS (0.42) NPEPPSITGA4ITGB7PIM1TDP1

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE PRMT5 1138/4885WDR77 3317/4885METAP2 57/4885

“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.