SCHEMBL830623

SCHEMBL830623

CCOC(=O)c1c(-c2cccnc2OC)c2cc(OCc3ccccc3)ccc2n1Cc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.43
PLA2G2A P14555 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
RAD52 P43351 2/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL862270 0.92 MKNK2 (0.44) MKNK2PLA2G2AKMT2AEDNRB
SCHEMBL386134 0.91 MKNK2 (0.44) MKNK2KMT2AMEN1RAD52
SCHEMBL829184 0.91 MKNK2 (0.43) MKNK2PLA2G2AKMT2AMEN1MAPT
SCHEMBL829622 0.90 MKNK2 (0.42) MKNK2KMT2AMEN1RAD52
SCHEMBL831263 0.89 MKNK2 (0.46) MKNK2PLA2G2AMAPTNPSR1
SCHEMBL862220 0.89 MKNK2 (0.43) MKNK2KMT2AMAPK1NPSR1
SCHEMBL12655601 0.88 MKNK2 (0.42) MKNK2KMT2AMAPK1NPSR1
SCHEMBL829469 0.85 MKNK2 (0.40) MKNK2NPSR1
SCHEMBL460937 0.84 SERPINE1 (0.42) MKNK2EDNRBEDNRA
SCHEMBL12338727 0.83 MKNK2 (0.42) MKNK2MAPTNPSR1

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
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-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
EP-2197884-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-06-23 EP 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
WO-2009032123-A2 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING 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 1656/4885PLA2G2A 4388/4885KMT2A 1322/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MKNK2 1385/4885PLA2G2A 3678/4885KMT2A 321/4885

“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.