SCHEMBL10020215

SCHEMBL10020215

C[C@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)[nH]2)OC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.69
MAPK12 P53778 11/20 0.69
MAPK11 Q15759 11/20 0.69
MAPK14 Q16539 11/20 0.69
CSNK1D P48730 2/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK2 P24941 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CSNK1G2 P78368 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44

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
SCHEMBL5139511 0.94 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL16566742 0.94 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL13819548 0.94 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5139505 0.91 MAPK14 (0.69) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5769752 0.90 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5768584 0.87 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5771409 0.87 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5138790 0.86 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL5139512 0.86 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5770878 0.85 MAPK14 (0.72) MAPK13MAPK12MAPK11MAPK14CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242273-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-08-14 US disclosed
US-8242273-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-08-14 US disclosed
US-8124765-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-02-28 US disclosed
US-8124765-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-02-28 US disclosed
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-7807832-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-7807832-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
WO-2007016286-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-01 US disclosed
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-01 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-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine DCK, DPYD, DTYMK MAPK13 1862/4885MAPK12 1311/4885MAPK11 2543/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK MAPK13 1862/4885MAPK12 1311/4885MAPK11 2543/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK MAPK13 1862/4885MAPK12 1311/4885MAPK11 2543/4885

“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.