SCHEMBL13395649

SCHEMBL13395649

CC1(C)COc2c1ccc1[nH]c3c(=O)oc4ccccc4c3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 7/20 0.40
▸ CDK5R1 Q15078 6/20 0.40
▸ DYRK1A Q13627 5/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ PIM3 Q86V86 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAP3K11 Q16584 2/20 0.35

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
SCHEMBL13395672 0.84 CDK4 (0.36) GSK3AGSK3BKDM4EALDH1A1HPGD
SCHEMBL21564027 0.62 MAOA (0.48) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL27678718 0.62 MEN1 (0.66) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL13413398 0.62 NPC1 (0.32) —
SCHEMBL16925770 0.61 CDK5 (0.58) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL16925771 0.61 L3MBTL1 (0.55) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL22357391 0.61 GABRP (0.35) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL30900701 0.61 L3MBTL1 (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL27224196 0.61 L3MBTL1 (0.62) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL14951878 0.61 GABRP (0.46) CDK5CDK5R1DYRK1AGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 — — 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 (1 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CDK5 300/4885CDK5R1 538/4885DYRK1A 3317/4885

“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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