SCHEMBL1387329

SCHEMBL1387329

CC(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccncc2)o1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 1/20 0.65
NR4A2 P43354 1/20 0.65
HPGD P15428 2/20 0.57
HTT P42858 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 1/20 0.57
POLB P06746 1/20 0.57
HSP90AA1 P07900 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CCR6 P51684 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK14 Q16539 11/20 0.56
MAPK11 Q15759 3/20 0.52
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52

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
SCHEMBL6232187 0.77 KDM4E (0.70) KDM4ELMNAALDH1A1NR4A2HPGD
SCHEMBL1387350 0.75 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL1387279 0.75 MAPK14 (0.71) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6749396 0.73 MAPK14 (0.64) NR4A2MAPK14MAPK11MAPK13MAPK12
SCHEMBL1387242 0.73 MAPK14 (0.64) NR4A2MAPK14MAPK11MAPK13MAPK12
SCHEMBL2162373 0.73 HTT (1.00) KDM4ELMNAALDH1A1NR4A2HPGD
SCHEMBL8555574 0.72 PTGS2 (0.60) KDM4ELMNAALDH1A1NR4A2HPGD
SCHEMBL19864312 0.71 MAPK14 (0.73) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL4467013 0.71 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6752467 0.71 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12GCGR

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
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2004-06-03 US claimed
EP-1306377-A2 Pyridyl-oxazoles and their use as cytokines inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2003-05-02 EP claimed
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2002-11-14 US claimed
US-6288062-B1 INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-11 US claimed
JP-H09505055-A 1997-05-20 JP claimed
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP claimed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP claimed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO claimed
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2004-06-03 US disclosed
EP-0727998-B1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1306377-A2 Pyridyl-oxazoles and their use as cytokines inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2003-05-02 EP disclosed
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2002-11-14 US disclosed
US-6288062-B1 INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-11 US disclosed
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 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 (2 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-20040106793-A1 Oxazoles for treating cytokine mediated diseases IL2, IL17A, IL5 KDM4E 4530/4885LMNA 4840/4885ALDH1A1 208/4885
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases IL17A, IL4I1, IL2 KDM4E 4607/4885LMNA 4206/4885ALDH1A1 267/4885

“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.