SCHEMBL12540480

SCHEMBL12540480

CC(C)(C)OC(=O)Nc1cc(C(C)(C)CO)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ NR3C2 P08235 3/20 0.40
▸ AR P10275 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ CYP17A1 P05093 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CCR2 P41597 2/20 0.38
▸ KDR P35968 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ NEK4 P51957 1/20 0.38
▸ MAP4K2 Q12851 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38

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
SCHEMBL12695291 0.90 ALDH1A1 (0.45) ATRALDH1A1GAAL3MBTL1GSK3B
SCHEMBL13331892 0.83 ATR (0.44) ATRALDH1A1GAAL3MBTL1GSK3B
SCHEMBL1980212 0.83 NR3C2 (0.46) ALDH1A1GAAL3MBTL1NR3C2AR
SCHEMBL29575346 0.81 IGF1R (0.48) ATRGSK3BDYRK1ANR3C2IGF1R
SCHEMBL1940483 0.81 IGF1R (0.48) ATRGSK3BDYRK1ANR3C2IGF1R
SCHEMBL22727030 0.80 ALDH1A1 (0.40) ATRALDH1A1GAAL3MBTL1GSK3B
SCHEMBL30633355 0.80 ATR (0.46) ATRGSK3BDYRK1AIGF1RCYP17A1
SCHEMBL3323673 0.80 ATR (0.46) ATRGSK3BDYRK1AIGF1RCYP17A1
SCHEMBL29272503 0.80 BRAF (0.44) ATRALDH1A1GAAL3MBTL1GSK3B
SCHEMBL13563525 0.80 GAA (0.49) ATRALDH1A1GAAL3MBTL1GSK3B

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 15 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
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 ATR 3008/4885ALDH1A1 3995/4885GAA 3297/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK ATR 2545/4885ALDH1A1 3370/4885GAA 3316/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 ATR 1346/4885ALDH1A1 2317/4885GAA 2821/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK ATR 2545/4885ALDH1A1 3370/4885GAA 3316/4885

“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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