SCHEMBL17848906

SCHEMBL17848906

Cc1noc(C)c1-c1ccc2[nH]nc(CN3CCOCC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.58
▸ JAK2 O60674 2/20 0.58
▸ BRD4 O60885 13/20 0.54
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ GSK3B P49841 2/20 0.49
▸ DYRK1A Q13627 1/20 0.48
▸ BRD2 P25440 1/20 0.46
▸ BRD3 Q15059 1/20 0.46
▸ CREBBP Q92793 3/20 0.45
▸ EP300 Q09472 1/20 0.44

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
SCHEMBL17848948 0.90 JAK2 (0.59) LRRK2JAK2BRD4GSK3BDYRK1A
SCHEMBL17848928 0.90 JAK2 (0.59) LRRK2JAK2BRD4LMNACYP1A2
SCHEMBL17848945 0.87 JAK2 (0.55) LRRK2JAK2BRD4GSK3BDYRK1A
SCHEMBL17848892 0.87 JAK2 (0.55) LRRK2JAK2BRD4GSK3BDYRK1A
SCHEMBL17848895 0.85 JAK2 (0.53) LRRK2JAK2BRD4GSK3BDYRK1A
SCHEMBL17848911 0.85 JAK2 (0.53) LRRK2JAK2BRD4GSK3BDYRK1A
SCHEMBL9909105 0.79 JAK2 (0.51) LRRK2JAK2LMNAHIF1AHSD17B10
SCHEMBL17581408 0.76 JAK2 (0.62) JAK2BRD4LMNACYP1A2CYP3A4
SCHEMBL14338764 0.74 HSD17B10 (0.52) JAK2CLK4HSD17B10GSK3BDYRK1A
SCHEMBL16022914 0.73 LRRK2 (1.00) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2019-02-21 — — US claimed
WO-2016097870-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-23 — — WO claimed
US-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2019-02-21 — — US disclosed
US-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2019-02-21 — — US disclosed
WO-2016097870-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-23 — — 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 (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-20190055235-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT LRRK2 713/4885JAK2 1812/4885BRD4 1/4885

“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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