SCHEMBL17848945

SCHEMBL17848945

COC1CCN(Cc2n[nH]c3ccc(-c4c(C)noc4C)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.55
▸ GSK3B P49841 2/20 0.51
▸ DYRK1A Q13627 1/20 0.50
▸ BRD4 O60885 15/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ IDH1 O75874 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL17848895 0.90 JAK2 (0.53) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17848928 0.88 JAK2 (0.59) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17848948 0.88 JAK2 (0.59) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17848906 0.87 LRRK2 (0.58) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17848911 0.86 JAK2 (0.53) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17848892 0.84 JAK2 (0.55) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17581408 0.73 JAK2 (0.62) JAK2GSK3BBRD4CYP2C9
SCHEMBL17581450 0.71 JAK2 (0.73) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL17860612 0.68 JAK2 (0.68) JAK2GSK3BDYRK1ABRD4LRRK2
SCHEMBL15223571 0.68 GSK3B (1.00) GSK3BDYRK1A

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
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
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 JAK2 1812/4885GSK3B 1230/4885DYRK1A 1509/4885

“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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