SCHEMBL829622

SCHEMBL829622

CCOC(=O)c1c(-c2cccnc2OC)c2cc(OS(=O)(=O)C(F)(F)F)ccc2n1Cc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.42
KMT2A Q03164 2/20 0.35
IGF1R P08069 1/20 0.35
CDK9 P50750 1/20 0.34
MEN1 O00255 1/20 0.33
RAD52 P43351 1/20 0.33
P2RX3 P56373 1/20 0.33
SERPINE1 P05121 1/20 0.33
ABL1 P00519 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
PPARG P37231 2/20 0.32
CCR2 P41597 2/20 0.32
TDP2 O95551 1/20 0.32
GCGR P47871 1/20 0.32
DYRK1A Q13627 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL386134 0.92 MKNK2 (0.44) MKNK2KMT2AIGF1RCDK9MEN1
SCHEMBL830623 0.90 MKNK2 (0.43) MKNK2KMT2AMEN1RAD52
SCHEMBL862270 0.90 MKNK2 (0.44) MKNK2KMT2A
SCHEMBL12655601 0.88 MKNK2 (0.42) MKNK2KMT2AIGF1RCDK9P2RX3
SCHEMBL829184 0.88 MKNK2 (0.43) MKNK2KMT2AIGF1RCDK9MEN1
SCHEMBL862220 0.87 MKNK2 (0.43) MKNK2KMT2AIGF1RCDK9P2RX3
SCHEMBL831263 0.87 MKNK2 (0.46) MKNK2IGF1RCDK9P2RX3CCR2
SCHEMBL460937 0.86 SERPINE1 (0.42) MKNK2IGF1RCDK9P2RX3SERPINE1
SCHEMBL829469 0.84 MKNK2 (0.40) MKNK2IGF1RCDK9P2RX3TBK1
SCHEMBL12338727 0.82 MKNK2 (0.42) MKNK2IGF1RCDK9P2RX3TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 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-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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
EP-2197842-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP disclosed
WO-2009032116-A1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2009-03-12 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 (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 MKNK2 1656/4885KMT2A 1322/4885IGF1R 3096/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MKNK2 1385/4885KMT2A 321/4885IGF1R 2798/4885

“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.