SCHEMBL3047639

SCHEMBL3047639

CN(C)Cc1ccc2c(c1)cc(-c1ccc(OS(C)(=O)=O)c3c1C(=O)NC3)n2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.36
NR1H3 Q13133 4/20 0.35
JAK3 P52333 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL3044795 0.89 NR1H2 (0.35) NR1H2NR1H3JAK3BRD4CREBBP
SCHEMBL3049946 0.88 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3050701 0.88 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3041891 0.87 NR1H2 (0.38) NR1H2NR1H3JAK3BRD4CREBBP
SCHEMBL3048132 0.87 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3053128 0.86 NR1H2 (0.37) NR1H2NR1H3
SCHEMBL3033635 0.86 NR1H2 (0.33) NR1H2NR1H3JAK3BRD4CREBBP
SCHEMBL3153122 0.85 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3034057 0.85 NR1H2 (0.35) NR1H2NR1H3BRD4CREBBP
SCHEMBL3049642 0.85 NR1H2 (0.37) NR1H2NR1H3JAK3BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885NR1H3 25/4885JAK3 2299/4885

“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.