SCHEMBL831263

SCHEMBL831263

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.46
CDK9 P50750 1/20 0.40
CCR2 P41597 2/20 0.39
P2RX3 P56373 2/20 0.38
PTGER1 P34995 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPT P10636 2/20 0.36
KDR P35968 1/20 0.35
FAAH O00519 1/20 0.35
IGF1R P08069 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PLA2G2A P14555 1/20 0.34
THRB P10828 1/20 0.34
PDE4A P27815 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NPSR1 Q6W5P4 2/20 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
SCHEMBL829184 0.92 MKNK2 (0.43) MKNK2CDK9P2RX3CYP2C9MAPT
SCHEMBL862220 0.92 MKNK2 (0.43) MKNK2CDK9CCR2P2RX3CYP2C9
SCHEMBL830670 0.91 CCR2 (0.40) MKNK2CDK9CCR2P2RX3PTGER1
SCHEMBL12655601 0.91 MKNK2 (0.42) MKNK2CDK9CCR2P2RX3CYP2C9
SCHEMBL386134 0.90 MKNK2 (0.44) MKNK2CDK9P2RX3IGF1R
SCHEMBL862270 0.90 MKNK2 (0.44) MKNK2PLA2G2A
SCHEMBL830623 0.89 MKNK2 (0.43) MKNK2MAPTPLA2G2ANPSR1
SCHEMBL387087 0.88 MKNK2 (0.44) MKNK2CDK9CCR2P2RX3PTGER1
SCHEMBL829469 0.88 MKNK2 (0.40) MKNK2CDK9CCR2P2RX3CYP2C9
SCHEMBL829622 0.87 MKNK2 (0.42) MKNK2CDK9CCR2P2RX3IGF1R

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 11 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-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 1656/4885CDK9 1963/4885CCR2 185/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MKNK2 1385/4885CDK9 2081/4885CCR2 106/4885

“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.