SCHEMBL862220

SCHEMBL862220

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.43
CDK9 P50750 1/20 0.35
IGF1R P08069 1/20 0.35
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
P2RX3 P56373 1/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
TBK1 Q9UHD2 3/20 0.32
CCR2 P41597 2/20 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
SCHEMBL829184 0.92 MKNK2 (0.43) MKNK2CDK9IGF1RPDE4APDE4B
SCHEMBL831263 0.92 MKNK2 (0.46) MKNK2CDK9IGF1RPDE4APDE4B
SCHEMBL12655601 0.91 MKNK2 (0.42) MKNK2CDK9IGF1RPDE4APDE4B
SCHEMBL386134 0.90 MKNK2 (0.44) MKNK2CDK9IGF1RP2RX3TBK1
SCHEMBL862270 0.90 MKNK2 (0.44) MKNK2KMT2A
SCHEMBL830623 0.89 MKNK2 (0.43) MKNK2NPSR1MAPK1KMT2A
SCHEMBL829469 0.88 MKNK2 (0.40) MKNK2CDK9IGF1RPDE4APDE4B
SCHEMBL829622 0.87 MKNK2 (0.42) MKNK2CDK9IGF1RP2RX3TBK1
SCHEMBL12338727 0.86 MKNK2 (0.42) MKNK2CDK9IGF1RPDE4APDE4B
SCHEMBL830670 0.83 CCR2 (0.40) MKNK2CDK9IGF1RBLMCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1963/4885IGF1R 3096/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MKNK2 1385/4885CDK9 2081/4885IGF1R 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.