SCHEMBL862727

SCHEMBL862727

Cc1cc2c(=O)n(C(=O)OC(C)(C)C)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc2cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
GRM2 Q14416 1/20 0.31
POLR1A O95602 1/20 0.30
MAP4K1 Q92918 1/20 0.30

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
SCHEMBL862165 0.85 GRM2 (0.31) IDO1TDO2IDO2GRM2MAP4K1
SCHEMBL832789 0.84 GABRG2 (0.36) GABRG2GABRB3GABRA5IDO1TDO2
SCHEMBL10255776 0.72 KMT2A (0.34) GABRG2GABRB3GABRA5IDO1TDO2
SCHEMBL13394518 0.71 IDO1 (0.33) IDO1TDO2IDO2POLR1A
SCHEMBL833262 0.70 IDO1 (0.34) IDO1TDO2IDO2POLR1A
SCHEMBL832643 0.70 PDPK1 (0.46) GABRG2GABRB3GABRA5
SCHEMBL13210054 0.70 MAP2K4 (0.36) GABRG2GABRB3GABRA5
SCHEMBL10299255 0.69 L3MBTL1 (0.45)
SCHEMBL14920239 0.68 BACE1 (0.41) GABRG2GABRB3GABRA5
SCHEMBL2779797 0.68 NR1H2 (0.39) GABRG2GABRB3GABRA5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8404845-B2 2,3-substituted azaindole derivatives for treating viral infections MERCK SHARP & DOHME CORP. (US) 2013-03-26 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 GABRG2 3809/4885GABRB3 2957/4885GABRA5 2096/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 GABRG2 4196/4885GABRB3 3107/4885GABRA5 3618/4885

“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.