SCHEMBL4602363

SCHEMBL4602363

CN1CCC(n2cnc(-c3ccccc3F)c2-c2ccnc([S+](C)[O-])n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.52
MAPK11 Q15759 3/20 0.39
MAPK13 O15264 2/20 0.39
EGFR P00533 2/20 0.39
CSNK1D P48730 2/20 0.39
MAPK12 P53778 2/20 0.39
CSNK1E P49674 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
RAF1 P04049 1/20 0.38
CYP1A2 P05177 1/20 0.38
LCK P06239 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKCA P17252 1/20 0.38
CYP2C19 P33261 1/20 0.38
FRK P42685 1/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL7715290 0.85 MAPK14 (0.56) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL4602366 0.85 MAPK14 (0.72) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL4585936 0.83 MAPK14 (0.53) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL8162468 0.81 MAPK14 (0.52) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL7907051 0.80 MAPK14 (0.77) MAPK14BRDT
SCHEMBL4603572 0.77 BRAF (0.42)
SCHEMBL7767922 0.76 MAPK14 (0.63) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL6962991 0.76 MAPK14 (0.64) MAPK14BRDT
SCHEMBL29406522 0.72 MAPK14 (0.72) MAPK14MAPK11MAPK13EGFRCSNK1D
SCHEMBL5935981 0.72 MAPK14 (0.72) MAPK14MAPK11MAPK13EGFRCSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809499-A4 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORP (US) 1998-10-14 EP claimed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP claimed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO claimed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-0809499-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed
US-5663334-A CYTOKINE INHIBITORS FORMED BY REACTION OF IMINE WITH SULFUR SUBSTITUTED NITRILE SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed
WO-1996021452-A1 CERTAIN 1,4,5-TRI-SUBSTITUTED IMIDAZOLE COMPOUNDS USEFUL AS CYTOKINE SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 MAPK14 36/4885MAPK11 39/4885MAPK13 34/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK14 23/4885MAPK11 37/4885MAPK13 15/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK14 36/4885MAPK11 50/4885MAPK13 39/4885

“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.