SCHEMBL10051487

SCHEMBL10051487

FC(F)(F)c1cccc(C#Cc2ccnc(NCc3ccccc3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.47
GRM5 P41594 1/20 0.46
SLC2A1 P11166 1/20 0.45
APP P05067 2/20 0.45
KDM4E B2RXH2 1/20 0.43
PTGES O14684 2/20 0.42
AURKA O14965 1/20 0.42
FFAR1 O14842 1/20 0.42
MAPK14 Q16539 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PIP4K2A P48426 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL710704 0.79 MAPK14 (0.52) GRM5MAPK14
SCHEMBL710705 0.79 MAPK14 (0.52) GRM5MAPK14
SCHEMBL5297920 0.74 GRM5 (0.43) GRM5PTGESAURKAMAPK14
SCHEMBL7014068 0.73 HTR7 (0.51) SLC2A1APPAURKAFFAR1HDAC3
SCHEMBL10051691 0.71 VNN1 (0.61) VNN1AURKAHDAC3HDAC1HDAC2
SCHEMBL27821982 0.71 PTPN1 (0.60) GRM5APPPTGESFFAR1
SCHEMBL30873473 0.69 GRM5 (0.58) GRM5PTGESFFAR1
SCHEMBL4714641 0.68 GRM5 (0.64) GRM5KDM4EHDAC6
SCHEMBL7016932 0.68 LCK (0.72) APP
SCHEMBL14719322 0.67 GRM5 (0.45) GRM5PTGESFFAR1

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 6 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
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 VNN1 2734/4885GRM5 1840/4885SLC2A1 2894/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK VNN1 2734/4885GRM5 1840/4885SLC2A1 2894/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK VNN1 2734/4885GRM5 1840/4885SLC2A1 2894/4885

“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.