SCHEMBL29326328

SCHEMBL29326328

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
METAP2 P50579 2/20 0.41
DHODH Q02127 1/20 0.41
NPEPPS P55786 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
FEN1 P39748 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
ACVR1 Q04771 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
VHL P40337 1/20 0.37

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
SCHEMBL27378012 0.89 METAP2 (0.41) IDO1METAP2DHODHNPEPPSPRMT5
SCHEMBL29326246 0.89 METAP2 (0.43) IDO1ITGA4ITGB7METAP2NPEPPS
SCHEMBL29326236 0.86 NPEPPS (0.44) ITGA4ITGB7NPEPPSFEN1HCAR1
SCHEMBL29326224 0.86 NPEPPS (0.48) ITGA4ITGB7NPEPPSFEN1HCAR1
SCHEMBL29326326 0.85 PRMT5 (0.43) IDO1ITGA4ITGB7METAP2NPEPPS
SCHEMBL29326219 0.82 ERCC5 (0.42) IDO1ITGA4ITGB7DHODHNPEPPS
SCHEMBL29326363 0.82 TNKS2 (0.50) ITGA4ITGB7NPEPPSFEN1TNKS2
SCHEMBL29326290 0.81 NPEPPS (0.42) ITGA4ITGB7NPEPPSFEN1HCAR1
SCHEMBL29326225 0.81 NPEPPS (0.48) NPEPPSFEN1HCAR1TNKS2TDP1
SCHEMBL27380572 0.81 PTGES (0.40) NPEPPSTNKS2KDM4EHTT

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 IDO1 1204/4885ITGA4 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.