SCHEMBL3093947

SCHEMBL3093947

COc1ccc(-n2nc(C3CCN(C(=O)N(C)O)CC3)cc2-c2cccnc2OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ KCNJ5 P48544 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ PTK2 Q05397 2/20 0.37
▸ ALOX5 P09917 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RPA1 P27694 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ORAI1 Q96D31 1/20 0.35
▸ MAPT P10636 1/20 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
SCHEMBL13158106 0.86 KCNJ6 (0.44) IRAK4KCNJ6KCNJ3KCNJ5MGLL
SCHEMBL3108442 0.86 TDP1 (0.52) TDP1JAK2JAK3PTK2ALDH1A1
SCHEMBL3100407 0.84 PTGS2 (0.50) KCNJ6KCNJ3MGLLALOX5PTGS2
SCHEMBL3104558 0.84 KCNJ6 (0.41) KCNJ6KCNJ3KCNJ5MGLLALOX5
SCHEMBL13158111 0.82 FAAH (0.47) KCNJ6KCNJ3KCNJ5MGLLALOX5
SCHEMBL3098701 0.82 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5MGLLFABP3
SCHEMBL3094330 0.81 PTGS2 (0.42) IRAK4KCNJ6KCNJ3KCNJ5MGLL
SCHEMBL3098837 0.81 TP53 (0.41) KCNJ6KCNJ3KCNJ5ALOX5PTGS2
SCHEMBL3100756 0.81 CARM1 (0.44) IRAK4KCNJ6KCNJ3KCNJ5JAK2
SCHEMBL3104707 0.81 MGLL (0.54) KCNJ6KCNJ3MGLLALOX5PTGS2

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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 — — US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 — — 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 IRAK4 4092/4885KCNJ6 2225/4885KCNJ3 2066/4885

“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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