SCHEMBL4553424

SCHEMBL4553424

O=C(NO)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 0.76
MAPK14 Q16539 15/20 0.76
MAPK13 O15264 14/20 0.76
MAPK12 P53778 14/20 0.76
TGFBR1 P36897 2/20 0.76
GCGR P47871 12/20 0.73
CSNK1A1 P48729 4/20 0.71
CSNK1D P48730 4/20 0.71
PRKD3 O94806 3/20 0.71
MAP4K4 O95819 3/20 0.71
FRK P42685 3/20 0.71
MAPK9 P45984 3/20 0.71
GSK3B P49841 3/20 0.71
PTK6 Q13882 3/20 0.71
CLK4 Q9HAZ1 2/20 0.71
PRKD2 Q9BZL6 2/20 0.71
ALDH1A1 P00352 4/20 0.67
RIPK2 O43353 3/20 0.67
CYP3A4 P08684 3/20 0.67

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
SCHEMBL413667 0.86 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL19868952 0.85 ALOX5 (0.80) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2649978 0.85 MAPK14 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL19868925 0.84 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL15075603 0.84 MAPK11 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL24634488 0.83 MAPK13 (0.79) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL5943951 0.82 ALOX5 (0.70) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL8483911 0.82 ALOX5 (0.69) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL5082208 0.81 ALOX5 (0.68) ALOX5MAPK11MAPK14MAPK13MAPK12
SCHEMBL2648930 0.81 MAPK13 (1.00) ALOX5MAPK11MAPK14MAPK13MAPK12

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-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-7351729-B2 JNK inhibitors for use in combination therapy for treating or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC (US) 2008-04-01 US 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
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers SIGNAL PHARMACEUTICALS, LLC 2004-04-08 US 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
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
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 (3 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
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 ALOX5 2726/4885MAPK11 67/4885MAPK14 72/4885

“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.