SCHEMBL710791

SCHEMBL710791

CC(Nc1nccc(C(=O)C(=O)c2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.65
MAPK13 O15264 10/20 0.49
MAPK12 P53778 10/20 0.49
MAPK11 Q15759 10/20 0.49
GPR139 Q6DWJ6 1/20 0.48
CES2 O00748 1/20 0.47
IDH1 O75874 2/20 0.46
MAPK9 P45984 3/20 0.46
RAF1 P04049 2/20 0.46

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
SCHEMBL710790 1.00 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11GPR139
SCHEMBL10051691 0.80 VNN1 (0.61) CES2
SCHEMBL20187393 0.76 MAPK14 (0.56) MAPK14IDH1
SCHEMBL30123472 0.76 MAPK14 (0.56) MAPK14IDH1
SCHEMBL6082153 0.74 MAPK14 (0.54) MAPK14IDH1
SCHEMBL7590696 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL7590690 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL710704 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL710705 0.73 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11IDH1
SCHEMBL20209435 0.73 MAPK14 (0.53) MAPK14IDH1

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 7 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-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-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
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

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 MAPK14 940/4885MAPK13 1862/4885MAPK12 1311/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK MAPK14 940/4885MAPK13 1862/4885MAPK12 1311/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK MAPK14 940/4885MAPK13 1862/4885MAPK12 1311/4885

“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.