Sugi Predict

Sugi Predict / Compounds / SCHEMBL829469

SCHEMBL829469

SCHEMBL829469

CCOC(=O)c1c(-c2cccnc2OC)c2cc(C#C[Si](C)(C)C)ccc2n1Cc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK2 Q9HBH9 1/20 0.40
▸ GABRA1 P14867 6/20 0.37
▸ GABRA5 P31644 6/20 0.37
▸ GABRG2 P18507 4/20 0.34
▸ GABRB3 P28472 4/20 0.34
▸ GABRA3 P34903 4/20 0.34
▸ GABRA2 P47869 4/20 0.34
▸ GABRA6 Q16445 4/20 0.34
▸ GABRA4 P48169 3/20 0.34
▸ CDK9 P50750 1/20 0.33
▸ 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
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL12655601 0.89 MKNK2 (0.42) MKNK2CDK9PDE4APDE4BPDE4C
SCHEMBL829184 0.89 MKNK2 (0.43) MKNK2CDK9PDE4APDE4BPDE4C
SCHEMBL862220 0.88 MKNK2 (0.43) MKNK2CDK9PDE4APDE4BPDE4C
SCHEMBL831263 0.88 MKNK2 (0.46) MKNK2CDK9PDE4APDE4BPDE4C
SCHEMBL832152 0.87 GABRA1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL386134 0.86 MKNK2 (0.44) MKNK2CDK9IGF1RP2RX3TBK1
SCHEMBL862270 0.86 MKNK2 (0.44) MKNK2
SCHEMBL830623 0.85 MKNK2 (0.43) MKNK2NPSR1
SCHEMBL829622 0.84 MKNK2 (0.42) MKNK2CDK9IGF1RCCR2P2RX3
SCHEMBL12338727 0.84 MKNK2 (0.42) MKNK2CDK9PDE4APDE4BPDE4C

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 1656/4885GABRA1 2809/4885GABRA5 2096/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 MKNK2 1385/4885GABRA1 4029/4885GABRA5 3618/4885

“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.