SCHEMBL29326618

SCHEMBL29326618

Cc1ccccc1-c1cc2[nH]c(=O)n(-c3cccc4ccccc34)c(=O)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.40
ITGA4 P13612 2/20 0.40
ITGB7 P26010 2/20 0.40
NPEPPS P55786 1/20 0.39
METAP2 P50579 1/20 0.39
AURKA O14965 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PDE7A Q13946 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL27379062 0.90 METAP2 (0.38) NPEPPSMETAP2AURKAHAVCR2MAPK13
SCHEMBL29326614 0.88 KDM4E (0.45) ITGA4ITGB7NPEPPSTDP1ALDH1A1
SCHEMBL29326616 0.84 IDO1 (0.44) HCAR1ITGA4ITGB7NPEPPSTDP1
SCHEMBL29326236 0.81 NPEPPS (0.44) HCAR1ITGA4ITGB7NPEPPSPDE7A
SCHEMBL29326278 0.80 AURKA (0.40) HCAR1ITGA4ITGB7NPEPPSAURKA
SCHEMBL27192007 0.79 KDM4E (0.42) NPEPPSALDH1A1KDM4EHTT
SCHEMBL29326183 0.77 ERCC5 (0.43) HCAR1ITGA4ITGB7NPEPPSAURKA
SCHEMBL29326225 0.76 NPEPPS (0.48) HCAR1NPEPPSAURKATDP1LMNA
SCHEMBL29326391 0.75 KDM4E (0.45) HCAR1ITGA4ITGB7NPEPPSHAVCR2
SCHEMBL29326440 0.75 NPEPPS (0.43) HCAR1ITGA4ITGB7NPEPPSTDP1

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 HCAR1 4317/4885ITGA4 4792/4885ITGB7 4641/4885

“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.