SCHEMBL4553529

SCHEMBL4553529

CSc1ccc(-c2nc(-c3cccc(N)c3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 1.00
MAPK14 Q16539 15/20 0.76
MAPK13 O15264 11/20 0.76
MAPK12 P53778 11/20 0.76
MAPK11 Q15759 11/20 0.76
CSNK1D P48730 3/20 0.65
GCGR P47871 3/20 0.65
MAPK9 P45984 2/20 0.65
PRKD3 O94806 1/20 0.65
MAP4K4 O95819 1/20 0.65
LCK P06239 1/20 0.65
RET P07949 1/20 0.65
PRKACA P17612 1/20 0.65
RPS6KB1 P23443 1/20 0.65
MATK P42679 1/20 0.65
FRK P42685 1/20 0.65
CSNK1A1 P48729 1/20 0.65
GSK3A P49840 1/20 0.65
GSK3B P49841 1/20 0.65
CSNK1G2 P78368 1/20 0.65

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
SCHEMBL6449407 0.87 MAPK14 (0.77) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552010 0.86 MAPK14 (0.76) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6468970 0.85 MAPK13 (0.79) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6609281 0.84 MAPK14 (0.79) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6467001 0.84 MAPK14 (0.72) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6923101 0.83 MAPK14 (0.71) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL5078082 0.81 MAPK14 (0.69) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552042 0.81 ALOX5 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL4552999 0.80 ALOX5 (0.72) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL5076185 0.80 ALOX5 (1.00) ALOX5MAPK14MAPK13MAPK12MAPK11

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 17 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
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-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US 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
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 2131/4885MAPK14 69/4885MAPK13 66/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 ALOX5 2555/4885MAPK14 3769/4885MAPK13 2219/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 ALOX5 2726/4885MAPK14 72/4885MAPK13 54/4885

“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.