SCHEMBL1978660

SCHEMBL1978660

CC(C)(Oc1ccc(N)c2ccccc12)c1ccnc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
EP300 Q09472 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
NOS3 P29474 4/20 0.41
NOS2 P35228 4/20 0.41
NCF1 P14598 2/20 0.35
NOS1 P29475 3/20 0.34
DYRK1A Q13627 4/20 0.33
HCK P08631 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK14 Q16539 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
CHEK1 O14757 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HDAC3 O15379 1/20 0.30

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
SCHEMBL1978770 0.82 DYRK1A (0.39) IDO1NOS3NOS2DYRK1AKDM4E
SCHEMBL535725 0.73 IDO1 (0.46) IDO1EP300KAT8NOS3NOS2
SCHEMBL27699096 0.72 IDO1 (0.62) IDO1EP300KAT8DYRK1AKDM4E
SCHEMBL12320352 0.72 NR3C2 (0.38) IDO1EP300KAT8NCF1HCK
SCHEMBL1979771 0.70 IDO1 (0.44) IDO1EP300KAT8NOS3NOS2
SCHEMBL31086650 0.70 IDO1 (0.44) IDO1EP300KAT8NOS3NOS2
SCHEMBL1981493 0.70 IDO1 (0.44) IDO1EP300KAT8NOS3NOS2
SCHEMBL12277721 0.70 IDO1 (0.44) IDO1EP300KAT8NOS3NOS2
SCHEMBL12596117 0.69 HCK (0.46) IDO1EP300KAT8NOS3NOS2
SCHEMBL12633374 0.68 NOS3 (0.41) IDO1EP300KAT8NOS3NOS2

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 12 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
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-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 US disclosed
EP-2509595-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION Respivert Limited (GB) 2012-10-17 EP 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
EP-2370428-A1 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-10-05 EP 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 IDO1 591/4885EP300 1374/4885KAT8 2387/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK IDO1 464/4885EP300 1276/4885KAT8 2258/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 IDO1 1844/4885EP300 1883/4885KAT8 1463/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK IDO1 464/4885EP300 1276/4885KAT8 2258/4885

“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.