Sugi Predict

Sugi Predict / Compounds / SCHEMBL1987461

SCHEMBL1987461

SCHEMBL1987461

COCC(=O)Nc1cc(COc2ccc([N+](=O)[O-])c3ccccc23)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCK P08631 8/20 0.53
▸ MAPK12 P53778 8/20 0.53
▸ MAPK14 Q16539 8/20 0.53
▸ SRC P12931 2/20 0.53
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 1/20 0.49
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39

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
SCHEMBL2564140 0.90 NPC1 (0.48) HCKMAPK12MAPK14SRCNPC1
SCHEMBL14687925 0.86 RAB9A (0.52) HCKMAPK12MAPK14SRCNPC1
SCHEMBL2558200 0.85 NPC1 (0.48) HCKMAPK12MAPK14SRCNPC1
SCHEMBL2561277 0.85 SMN1; SMN2 (0.53) HCKMAPK12MAPK14SRCNPC1
SCHEMBL12158272 0.84 HCK (0.55) HCKMAPK12MAPK14SRCNPC1
SCHEMBL31086714 0.80 LMNA (0.45) HCKMAPK12MAPK14SRCNPC1
SCHEMBL13332061 0.80 SMN1; SMN2 (0.46) HCKMAPK12MAPK14SRCNPC1
SCHEMBL2572968 0.79 HCK (0.52) HCKMAPK12MAPK14SRCNPC1
SCHEMBL31086859 0.79 LMNA (0.43) HCKMAPK12MAPK14SRCNPC1
SCHEMBL17008494 0.79 LMNA (0.43) HCKMAPK12MAPK14SRCNPC1

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 19 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
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
EP-2350047-B1 P38 MAP KINASE INHIBITORS RESPIVERT LTD (GB) 2013-06-26 — — EP disclosed
US-8299073-B2 P38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-30 — — US disclosed
US-8293771-B2 p38 MAP kinase inhibitors RESPIVERT LTD. (GB) 2012-10-23 — — US disclosed
US-8293771-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
US-20110294812-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-12-01 — — US disclosed
US-20110269800-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-11-03 — — US disclosed
US-20110269800-A1 P38 MAP KINASE INHIBITORS RESPIVERT LTD. (GB) 2011-11-03 — — 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-2010038085-A2 P38 MAPK KINASE INHIBITOR 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 (5 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 HCK 1/4885MAPK12 621/4885MAPK14 257/4885
US-20110269800-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K11, MAP3K1 HCK 733/4885MAPK12 23/4885MAPK14 22/4885
US-20120244120-A1 INHIBITORS OF HEMOPOIETIC CELL KINASE (P59-HCK) AND THEIR USE IN THE TREATMENT OF INFLUENZA INFECTION HCK, CDK9, TTK HCK 1/4885MAPK12 634/4885MAPK14 418/4885
US-20110294812-A1 P38 MAP KINASE INHIBITORS MAPK1, MAP3K1, MAPK3 HCK 348/4885MAPK12 13/4885MAPK14 10/4885
US-20160045512-A1 Inhibitors of Hemopoietic Cell Kinase (P59-HCK) and Their Use in the Treatment of Influenza Infection HCK, CDK9, TTK HCK 1/4885MAPK12 634/4885MAPK14 418/4885

“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.