SCHEMBL1339391

SCHEMBL1339391

Cn1c(=O)c(-c2ccc(Br)cc2)cc2c3cc(-c4csc(CNC(=O)OCc5ccccc5)n4)ccc3n(C)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.48
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ TNKS O95271 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ ENPP2 Q13822 5/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33

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
SCHEMBL1339518 0.87 PARP1 (0.48) PARP1ADORA2AADORA2BTNKSTNKS2
SCHEMBL1338328 0.79 LMNA (0.39) PARP1MAPK1LMNAMAPTTRPA1
SCHEMBL1339304 0.73 PTGS2 (0.39) LMNAMAPTPTGS2
SCHEMBL1339112 0.73 RAB9A (0.61) PARP1MAPTPTGS2
SCHEMBL1338029 0.72 GABRA1 (0.41) PARP1LMNAMAPTPTGS2
SCHEMBL1339111 0.72 RAB9A (0.44) PARP1LMNAMAPTPTGS2
SCHEMBL1337011 0.68 FAAH (0.41) LMNAMAPT
SCHEMBL1336992 0.68 RAB9A (0.55) PARP1MAPTPTGS2
SCHEMBL1338038 0.67 LMNA (0.41) ENPP2LMNAMAPT
SCHEMBL1339064 0.67 SREBF2 (0.38) ENPP2LMNAMAPTHDAC1HDAC8

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-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 — — US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 — — EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 — — US disclosed
EP-1940840-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 — — EP disclosed
WO-2007045758-A1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-04-26 — — WO 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-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 PARP1 370/4885ADORA2A 278/4885ADORA2B 318/4885

“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.

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