Sugi Predict

Sugi Predict / Compounds / SCHEMBL1979489

SCHEMBL1979489

SCHEMBL1979489

CC(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccnc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ ADRA2B P18089 3/20 0.38
▸ ADRA2C P18825 3/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ MAPT P10636 10/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ L3MBTL1 Q9Y468 6/20 0.38
▸ HTT P42858 5/20 0.38
▸ LMNA P02545 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CTSB P07858 5/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ ALOX12 P18054 2/20 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
SCHEMBL17993962 1.00 MEN1 (0.40) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B
SCHEMBL12277496 1.00 MEN1 (0.40) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B
SCHEMBL1981493 0.82 IDO1 (0.44) MEN1KMT2ADYRK1AKDM4EIDO1
SCHEMBL12277721 0.82 IDO1 (0.44) MEN1KMT2ADYRK1AKDM4EIDO1
SCHEMBL12633377 0.81 MEN1 (0.38) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B
SCHEMBL29662541 0.77 MAPT (0.50) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B
SCHEMBL535504 0.77 MAPT (0.50) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B
SCHEMBL1981976 0.75 DYRK1A (0.41) MEN1KMT2ADYRK1AMAPTALDH1A1
SCHEMBL31086675 0.75 DYRK1A (0.41) MEN1KMT2ADYRK1AMAPTALDH1A1
SCHEMBL1978770 0.75 DYRK1A (0.39) MEN1KMT2ASMN1; SMN2DYRK1AADRA2B

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 20 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-8975285-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2015-03-10 — — US disclosed
US-20140114064-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2014-04-24 — — US disclosed
US-8618140-B2 P38 MAP kinase inhibitors RESPIVERT LTD (GB) 2013-12-31 — — US disclosed
US-20130012512-A1 P38 MAP kinase inhibitors ITO KAZUHIRO (GB) 2013-01-10 — — US disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 — — US disclosed
US-8293748-B2 p38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-23 — — 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
US-20110212962-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-09-01 — — US disclosed
EP-2350049-A2 P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2011-08-03 — — 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
WO-2010038086-A2 NOVEL COMPOUNDS RESPIVERT LIMITED (GB) 2010-04-08 — — 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 (7 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 MEN1 4402/4885KMT2A 2878/4885SMN1; SMN2 4497/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK MEN1 4299/4885KMT2A 2356/4885SMN1; SMN2 4505/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 MEN1 4363/4885KMT2A 4268/4885SMN1; SMN2 2648/4885
US-20130012512-A1 P38 MAP kinase inhibitors MAPK1, MAPK3, MAPK6 MEN1 4682/4885KMT2A 2390/4885SMN1; SMN2 3089/4885
US-20110212962-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK6 MEN1 4682/4885KMT2A 2390/4885SMN1; SMN2 3089/4885
US-20140114064-A1 P38 MAP KINASE INHIBITORS MAPK1, MAPK3, MAPK6 MEN1 4682/4885KMT2A 2390/4885SMN1; SMN2 3089/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK MEN1 4299/4885KMT2A 2356/4885SMN1; SMN2 4505/4885

“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.