SCHEMBL4592945

SCHEMBL4592945

Fc1ccc(-c2ncn(CCCN3CCOCC3)c2-c2ccnc3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 19/20 1.00
MAPK12 P53778 19/20 1.00
MAPK11 Q15759 19/20 1.00
MAPK14 Q16539 19/20 1.00
ACVR1 Q04771 1/20 0.62

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
SCHEMBL8860476 0.92 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14ACVR1
SCHEMBL8860270 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
Sb-210313 SCHEMBL4918397 0.81 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL21428639 0.79 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4915601 0.79 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4592948 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4920716 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4915329 0.78 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14
SCHEMBL4584913 0.78 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14ACVR1
SCHEMBL4915298 0.78 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708768-B1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP claimed
US-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US claimed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US 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-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed
EP-1227092-A2 Isonitrile intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SmithKline Beecham Corporation (US) 2002-07-31 EP disclosed
US-6387898-B1 USING IMIDAZOLE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-05-14 US disclosed
US-6222036-B1 REACTING 2-THIO-4-DIMETHYOXYMETHYL-PYRIMIDINE WITH ACETIC ACID AND CATALYTIC AMOUNT OF CONCETRATED SULFURIC ACID TO PRODUCE 2-THIOPYRIMIDINE ALDEHYDE SMITHKLINE BEECHAM CORPORATION 2001-04-24 US disclosed
US-6150557-A REACTING COMPOUND CONTAINING SECONDARY AMIDE GROUPS WITH BENZENESULFINIC ACID OR ITS DERIVATIVE IN PRESENCE OF ACID CATALYST SMITHKLINE BEECHAM CORPORATION (US) 2000-11-21 US disclosed
US-6103936-A REACTING ALDEHYDE, SULFIDE, SULFONE, OR SULFOXIDE WITH FORMAMIDE IN PRESENCE OF ACID CATALYST, AND OPTIONALLY A DEHYDRATING AGENT SMITHKLINE BEECHAM CORPORATION (US) 2000-08-15 US disclosed
US-5969184-A INTERMEDIATES FOR COMPOUNDS WHICH CONTROL PRODUCTION OF EXCESSIVE INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR SMITHKLINE BEECHAM CORPORATION (US) 1999-10-19 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-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

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 MAPK13 34/4885MAPK12 27/4885MAPK11 39/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 MAPK13 15/4885MAPK12 30/4885MAPK11 37/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 MAPK13 39/4885MAPK12 28/4885MAPK11 50/4885

“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.