SCHEMBL4565197

SCHEMBL4565197

C[S+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.72
MAPK13 O15264 14/20 0.72
MAPK12 P53778 14/20 0.72
MAPK11 Q15759 14/20 0.72
RAF1 P04049 10/20 0.72
ALOX5 P09917 1/20 0.67
GCGR P47871 5/20 0.61
BRAF P15056 2/20 0.56
CSNK1D P48730 1/20 0.55
CSNK1E P49674 1/20 0.55
BRDT Q58F21 1/20 0.53
MAPK9 P45984 1/20 0.52

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
SCHEMBL15606600 0.88 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL155371 0.88 ALOX5 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL21574554 0.88 ALOX5 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6447875 0.86 MAPK13 (0.72) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552055 0.85 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL21068026 0.84 ALOX5 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2647655 0.84 MAPK14 (0.89) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6926311 0.84 TEK (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4552010 0.82 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6469564 0.81 MAPK13 (0.78) MAPK14MAPK13MAPK12MAPK11RAF1

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 20 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-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
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 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 MAPK14 69/4885MAPK13 66/4885MAPK12 59/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK14 3769/4885MAPK13 2219/4885MAPK12 3250/4885
US-20040067953-A1 Combination therapy for treating, preventing or managing proliferative disorders and cancers MAP3K1, MAP3K2, MAP2K2 MAPK14 72/4885MAPK13 54/4885MAPK12 56/4885

“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.