SCHEMBL5076167

SCHEMBL5076167

NC(=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 11/20 1.00
BRAF P15056 2/20 0.80
MAPK14 Q16539 14/20 0.71
MAPK13 O15264 13/20 0.71
MAPK12 P53778 13/20 0.71
MAPK11 Q15759 13/20 0.71
GCGR P47871 12/20 0.71
CSNK1D P48730 3/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 2/20 0.71
FRK P42685 2/20 0.71
MAPK9 P45984 2/20 0.71
CSNK1A1 P48729 2/20 0.71
GSK3B P49841 2/20 0.71
PTK6 Q13882 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71
PRKD2 Q9BZL6 1/20 0.71
TGFBR1 P36897 1/20 0.69
CSNK1E P49674 2/20 0.68
KDM4E B2RXH2 1/20 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
SCHEMBL19868952 0.85 ALOX5 (0.80) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL19868925 0.84 MAPK11 (1.00) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL15075603 0.84 MAPK11 (1.00) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL20573710 0.82 BRAF (0.88) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL21778612 0.82 BRAF (0.88) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL20573711 0.82 BRAF (0.88) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL8486398 0.82 ALOX5 (0.69) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL413667 0.81 MAPK14 (1.00) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL18966276 0.81 MAPK14 (1.00) ALOX5BRAFMAPK14MAPK13MAPK12
SCHEMBL2648969 0.81 MAPK13 (1.00) ALOX5BRAFMAPK14MAPK13MAPK12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889887-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-06-11 EP claimed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US 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-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US claimed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
EP-0889887-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1997035855-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US claimed
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
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
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 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 (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 2131/4885BRAF 295/4885MAPK14 69/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 ALOX5 2555/4885BRAF 1116/4885MAPK14 3769/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 ALOX5 2726/4885BRAF 159/4885MAPK14 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.