SCHEMBL4552997

SCHEMBL4552997

NS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 13/20 1.00
MAPK11 Q15759 15/20 0.78
MAPK14 Q16539 15/20 0.78
CSNK1A1 P48729 5/20 0.78
CSNK1D P48730 5/20 0.78
ALDH1A1 P00352 4/20 0.78
CSNK1E P49674 3/20 0.78
CSNK1A1L Q8N752 3/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
MAPK13 O15264 14/20 0.75
MAPK12 P53778 14/20 0.75
GCGR P47871 12/20 0.75
PRKD3 O94806 4/20 0.75
MAP4K4 O95819 4/20 0.75
FRK P42685 4/20 0.75
MAPK9 P45984 4/20 0.75
GSK3B P49841 4/20 0.75
PTK6 Q13882 3/20 0.75
CLK4 Q9HAZ1 3/20 0.75
PRKD2 Q9BZL6 3/20 0.75

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
SCHEMBL9201148 0.88 MAPK14 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL4336547 0.88 MAPK14 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL458366 0.88 MAPK14 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL19868925 0.87 MAPK11 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL15075603 0.87 MAPK11 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
Hydrochloric Acid SCHEMBL16566835 0.86 MAPK14 (0.98) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL178158 0.84 MAPK11 (0.77) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL2648969 0.83 MAPK13 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL6469880 0.83 MAPK13 (1.00) ALOX5MAPK11MAPK14CSNK1A1CSNK1D
SCHEMBL7088230 0.82 ALOX5 (0.69) ALOX5MAPK11MAPK14CSNK1A1CSNK1D

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP claimed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US claimed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US claimed
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
US-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia SIGNAL PHARMACEUTICALS, LLC 2007-06-28 US disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
EP-1430038-A1 ULTRAVIOLET LIGHT ABSORBERS Ciba SC Holding AG (CH) 2004-06-23 EP disclosed
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
WO-2003016292-A1 ULTRAVIOLET LIGHT ABSORBERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-02-27 WO disclosed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US 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-20070149571-A1 Combination therapy for treating or managing acute myelocytic leukemia MCL1, ATF1, MAP3K5 ALOX5 2131/4885MAPK11 71/4885MAPK14 69/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 ALOX5 2555/4885MAPK11 2198/4885MAPK14 3769/4885

“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.