SCHEMBL1639811

SCHEMBL1639811

c1ccc(-c2ncn(C3CCNCC3)c2-c2ccncn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.58
MAPK11 Q15759 3/20 0.58
MAPK13 O15264 2/20 0.58
MAPK12 P53778 2/20 0.58
BRD4 O60885 3/20 0.56
PRKD3 O94806 2/20 0.54
MAP4K4 O95819 2/20 0.54
PRKACA P17612 2/20 0.54
CSNK1A1 P48729 2/20 0.54
CSNK1D P48730 2/20 0.54
MINK1 Q8N4C8 2/20 0.54
MAP4K5 Q9Y4K4 2/20 0.54
RIPK2 O43353 1/20 0.54
DYRK3 O43781 1/20 0.54
PRKCG P05129 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
PIM1 P11309 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL1640317 0.88 MAPK14 (0.75) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1641022 0.82 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1639238 0.82 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1640842 0.81 MAPK14 (0.80) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL27984882 0.81 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1639876 0.80 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1641005 0.79 MAPK14 (0.81) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL1639277 0.78 GPR119 (0.50) MAPK14
SCHEMBL15463520 0.76 CSNK1D (0.63) MAPK14MAPK11MAPK13MAPK12BRD4
SCHEMBL5748234 0.74 MAPK14 (0.60) MAPK14MAPK11MAPK13MAPK12BRD4

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
CN-102686580-B imidazole derivatives as casein kinase inhibitors PFIZER 2014-09-10 CN disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
CN-102686580-A Imidazole derivatives as casein kinase inhibitors PFIZER 2012-09-19 CN disclosed
EP-2493876-A1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS Pfizer Inc. (US) 2012-09-05 EP disclosed
WO-2011051858-A1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2011-05-05 WO disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-7826979-B2 Method of modeling complex formation between a query ligan and a target molecule VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-7826979-B2 Method of modeling complex formation between a query ligan and a target molecule VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 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 (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-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors CSNK1A1, CSNK1A1L, CSNK1G1 MAPK14 169/4885MAPK11 295/4885MAPK13 156/4885

“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.