SCHEMBL832080

SCHEMBL832080

CCc1cc2c(cc1F)[nH]c1c(=O)oc3ncccc3c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 8/20 0.35
▸ CDK5R1 Q15078 7/20 0.35
▸ DYRK1A Q13627 4/20 0.35
▸ PBRM1 Q86U86 1/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ TOP1 P11387 1/20 0.34
▸ CDK4 P11802 2/20 0.33
▸ CCND1 P24385 2/20 0.33
▸ HCAR2 Q8TDS4 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL829831 0.86 CDK5 (0.37) CDK5CDK5R1DYRK1APBRM1GSK3A
SCHEMBL12665725 0.82 CDK5 (0.41) CDK5CDK5R1DYRK1APBRM1GSK3A
SCHEMBL12388707 0.75 AURKA (0.35) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL12388717 0.73 PARP1 (0.40) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL12623799 0.68 GRIN1 (0.32) —
SCHEMBL13905338 0.67 AR (0.30) —
SCHEMBL12622957 0.66 CDK4 (0.39) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL13395672 0.65 CDK4 (0.36) PBRM1GSK3AGSK3BCDK4CCND1
SCHEMBL13906473 0.64 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL12623070 0.64 TNIK (0.36) ALDH1A1

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
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-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 2011-05-05 — — US disclosed
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF SHERING CORPORATION 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-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
WO-2009032124-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF 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 (3 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 CDK5 672/4885CDK5R1 2045/4885DYRK1A 596/4885
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 CDK5 751/4885CDK5R1 1843/4885DYRK1A 1001/4885
US-20110104110-A1 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, INMT CDK5 224/4885CDK5R1 724/4885DYRK1A 1014/4885

“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.

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