SCHEMBL12540671

SCHEMBL12540671

CC(C)(C)OC(=O)Nc1cc(C(C)(C)COc2ccc(N)c3ccccc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 16/20 0.48
▸ NR3C2 P08235 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ DAPK1 P53355 2/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MYLK2 Q9H1R3 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ BMP2K Q9NSY1 2/20 0.37
▸ CIT O14578 1/20 0.37
▸ DAPK3 O43293 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ PKN2 Q16513 1/20 0.37
▸ TLK2 Q86UE8 1/20 0.37
▸ HIPK4 Q8NE63 1/20 0.37
▸ STK39 Q9UEW8 1/20 0.37
▸ TLK1 Q9UKI8 1/20 0.37
▸ GAK O14976 1/20 0.37

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
SCHEMBL1979511 0.89 AAK1 (0.46) AAK1NR3C2DAPK1MKNK1MYLK2
SCHEMBL12541454 0.85 AAK1 (0.43) AAK1IRAK4
SCHEMBL2405921 0.83 MAPK14 (0.51) AAK1NR3C2HDAC1IGF1R
SCHEMBL2311923 0.82 NR3C2 (0.44) AAK1NR3C2HDAC1IGF1R
SCHEMBL17690029 0.82 GCK (0.45) AAK1
SCHEMBL12541874 0.81 AAK1 (0.47) AAK1NR3C2CYP3A4HDAC1
SCHEMBL12596136 0.81 AAK1 (0.47) AAK1NR3C2CYP3A4HDAC1
SCHEMBL12596582 0.78 NR3C2 (0.45) AAK1NR3C2HDAC1IGF1R
SCHEMBL12541179 0.78 NR3C2 (0.45) AAK1NR3C2HDAC1IGF1R
SCHEMBL2471852 0.78 AAK1 (0.38) AAK1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 — — EP disclosed
EP-2509595-B1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD (GB) 2018-04-11 — — EP disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 — — US disclosed
US-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2018-01-04 — — US disclosed
EP-2370428-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2016-08-10 — — EP disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 — — US disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 — — US disclosed
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection RESPIVERT LIMITED (GB) 2016-02-18 — — US disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 — — US disclosed
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD. (GB) 2012-09-27 — — US disclosed
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LTD. (GB) 2012-09-27 — — US disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 — — US disclosed
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 — — US disclosed
WO-2011070368-A1 ANTIVIRAL USE OF UREA COMPOUNDS RESPIVERT LIMITED (GB) 2011-06-16 — — WO disclosed
WO-2011070369-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION RESPIVERT LIMITED (GB) 2011-06-16 — — WO disclosed
WO-2010067131-A1 P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2010-06-17 — — 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 (4 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-20180000830-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P-59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, PHKG1 AAK1 94/4885NR3C2 4109/4885CYP3A4 3162/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK AAK1 102/4885NR3C2 3208/4885CYP3A4 2906/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 AAK1 322/4885NR3C2 254/4885CYP3A4 2316/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK AAK1 102/4885NR3C2 3208/4885CYP3A4 2906/4885

“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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