SCHEMBL832789

SCHEMBL832789

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
IDO2 Q6ZQW0 1/20 0.35
POLR1A O95602 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32
LMNA P02545 1/20 0.32
HPD P32754 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SSTR4 P31391 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31

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
SCHEMBL13394518 0.86 IDO1 (0.33) IDO1TDO2IDO2POLR1ALMNA
SCHEMBL833262 0.85 IDO1 (0.34) IDO1TDO2IDO2POLR1ALMNA
SCHEMBL862727 0.84 GABRG2 (0.33) GABRG2GABRB3GABRA5IDO1TDO2
SCHEMBL10255776 0.80 KMT2A (0.34) GABRG2GABRB3GABRA5IDO1TDO2
SCHEMBL862090 0.72 PIK3R1 (0.37) GABRG2GABRB3GABRA5LMNA
SCHEMBL862165 0.69 GRM2 (0.31) IDO1TDO2IDO2
SCHEMBL7489186 0.68 NR1H2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL832980 0.68 MAP2K4 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL24098547 0.67 POLB (0.52) HPDHRH3POLB
SCHEMBL25194039 0.67 L3MBTL1 (0.41) GABRG2GABRB3GABRA5LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 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
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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 (5 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
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT GABRG2 3871/4885GABRB3 1986/4885GABRA5 2472/4885
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L GABRG2 4139/4885GABRB3 3268/4885GABRA5 1870/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 GABRG2 4048/4885GABRB3 2434/4885GABRA5 2363/4885

“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.