SCHEMBL6420895

SCHEMBL6420895

Nc1ccnc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.70
MAPK13 O15264 2/20 0.70
MAPK12 P53778 2/20 0.70
MAPK11 Q15759 2/20 0.70
PRKD3 O94806 2/20 0.70
MAP4K4 O95819 2/20 0.70
PRKACA P17612 2/20 0.70
CSNK1A1 P48729 2/20 0.70
CSNK1D P48730 2/20 0.70
MINK1 Q8N4C8 2/20 0.70
MAP4K5 Q9Y4K4 2/20 0.70
RIPK2 O43353 1/20 0.70
DYRK3 O43781 1/20 0.70
PRKCG P05129 1/20 0.70
LCK P06239 1/20 0.70
LYN P07948 1/20 0.70
RET P07949 1/20 0.70
PIM1 P11309 1/20 0.70
MAPK1 P28482 1/20 0.70
FLT4 P35916 1/20 0.70

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
SCHEMBL27508773 0.87 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4593648 0.85 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4593520 0.84 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL7611152 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL4592634 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PRKD3
Sb-220025 SCHEMBL173441 0.83 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL8177432 0.82 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL8176012 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD3
Sb-220025 SCHEMBL18066291 0.82 MAPK14 (0.98) MAPK14MAPK13MAPK12MAPK11PRKD3
SCHEMBL13819564 0.80 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11PRKD3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1291346-B1 Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORP (US) 2005-03-23 EP disclosed
US-20020188122-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2002-12-12 US disclosed
EP-1229035-A1 Imine intermediates for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-08-07 EP 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
EP-1227091-A2 Formamide intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP 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-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
CN-1050126-C Tri-substituted imidazoles, their preparation and use and pharmaceutical compositions containing them SMITHKLINE BEECHAM CORP (US) 2000-03-08 CN 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
CN-1218801-A Tri-substituted imidazoles, and process of their preparation and using the same and having their pharmic composition SMITHKLINE BEECHAM CORP (US) 1999-06-09 CN 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-5593991-A ANTIINFLAMMATORY, CYTOKINE INHIBITOR, CYCLOOXYGENASE INHIBITOR SMITHKLINE BEECHAM CORPORATION 1997-01-14 US disclosed
US-5593992-A CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-14 US disclosed
CN-1129447-A Trisubstituted imidazoles having multiple therapeutic effects SMITHKLINE BEECHAM CORP (US) 1996-08-21 CN 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 (1 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-20020188122-A1 Novel compounds IL2, IFNG, IL1RN MAPK14 726/4885MAPK13 680/4885MAPK12 1002/4885

“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.