SCHEMBL2645320

SCHEMBL2645320

CC(=O)c1ccc(F)cc1-c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
BTK Q06187 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KLK7 P49862 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
GCGR P47871 2/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK13 O15264 1/20 0.41

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
SCHEMBL28133835 0.85 ALDH1A1 (0.56) MAPK14IKBKBCHUKALDH1A1GAA
Hydrochloric Acid SCHEMBL14840881 0.83 ALDH1A1 (0.55) MAPK14IKBKBCHUKALDH1A1GAA
SCHEMBL29519530 0.83 HTT (0.48) MEN1MAPTKMT2AAKR1C3AKR1C2
SCHEMBL11250307 0.83 HTT (0.48) MEN1MAPTKMT2AAKR1C3AKR1C2
SCHEMBL6215832 0.83 PARP10 (0.39) MAPK14ADORA2BMAPK13MAPK12MAPK11
SCHEMBL14840894 0.83 CYP46A1 (0.58) MAPK14IKBKBCHUKALDH1A1GAA
SCHEMBL30664877 0.79 MAPK14 (0.59) MAPK14ALDH1A1MEN1MAPTKLK7
SCHEMBL6708324 0.79 CDC7 (0.47) MAPK14IKBKBCHUKALDH1A1ADORA3
SCHEMBL6162567 0.78 MAP4K4 (0.43) MAPK14ADORA2B
SCHEMBL27392369 0.78 AKR1C2 (0.45) IKBKBALDH1A1GAAMEN1MAPT

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
EP-0943616-B1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
EP-0943616-A1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-09-22 EP disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
EP-0871444-A4 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 1999-01-13 EP disclosed
US-5837719-A USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS MERCK & CO., INC. (US) 1998-11-17 US disclosed
EP-0871444-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1997016441-A1 SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-05-09 WO disclosed
WO-1997005878-A1 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 1997-02-20 WO disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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 (1 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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK14 3769/4885IKBKB 332/4885CHUK 457/4885

“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.