SCHEMBL710704

SCHEMBL710704

C[C@@H](Nc1nccc(C#Cc2cccc(C(F)(F)F)c2)n1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.52
MAPK13 O15264 14/20 0.51
MAPK12 P53778 14/20 0.51
MAPK11 Q15759 14/20 0.51
MAPK9 P45984 5/20 0.47
RAF1 P04049 2/20 0.47
GRM5 P41594 1/20 0.46
IDH1 O75874 1/20 0.45
HTR7 P34969 1/20 0.43

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
SCHEMBL710705 1.00 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL5297920 0.86 GRM5 (0.43) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL10051487 0.79 VNN1 (0.47) MAPK14GRM5
SCHEMBL7695632 0.74 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL710791 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL710790 0.73 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215445 0.71 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215450 0.71 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8488141 0.70 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7020598 0.70 LCK (0.74) MAPK14MAPK13MAPK12MAPK11IDH1

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 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.