SCHEMBL708025

SCHEMBL708025

CC(C)(C)Nc1nccc(C(=O)C(=O)c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM5A P29375 1/20 0.37
JMJD1C Q15652 1/20 0.37
KDM3A Q9Y4C1 1/20 0.37
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL709768 0.81 CES1 (0.43) CES1CES2MAPK14RAB9AALDH1A1
SCHEMBL14609753 0.77 HDAC3 (0.45) HDAC3HDAC1HDAC2
SCHEMBL10020220 0.77 CES1 (0.52) CES1CES2RAB9AALDH1A1HPGD
SCHEMBL5771051 0.73 CES1 (0.47) CES1CES2MAPK14ALDH1A1HPGD
SCHEMBL7205226 0.73 CES1 (0.47) CES1CES2MAPK13MAPK12MAPK11
SCHEMBL709297 0.67 GRM5 (0.42) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7206668 0.67 MAPT (0.44) CES1CES2MAPK14RAB9AALDH1A1
SCHEMBL1554486 0.66 MAPK14 (0.36) MAPK14RAB9AALDH1A1USP2CYP1A2
SCHEMBL25876463 0.66 MAPT (0.58) MAPK14HDAC3HDAC1HDAC2HDAC6
SCHEMBL716295 0.66 CES2 (1.00) CES1CES2RAB9ANPC1LTA4H

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 20 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-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-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-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-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
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
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
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 CES1 2934/4885CES2 1662/4885MAPK13 1862/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK CES1 2934/4885CES2 1662/4885MAPK13 1862/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK CES1 2934/4885CES2 1662/4885MAPK13 1862/4885

“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.