SCHEMBL310164

SCHEMBL310164

COc1cc(N2CCC(CN3CCN(C)CC3)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
PTK2B Q14289 1/20 0.45
SIRT6 Q8N6T7 1/20 0.43
HTR1A P08908 6/20 0.43
HTR7 P34969 5/20 0.43
HTR4 Q13639 6/20 0.43
ADRA1B P35368 3/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
PDE10A Q9Y233 2/20 0.42
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1D P28221 1/20 0.41

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
SCHEMBL14180546 0.95 GAA (0.45) GAAKDM4EMAPTMAPK1HTT
SCHEMBL2207475 0.90 GAA (0.46) GAAHTR1AHTR7HTR4ADRA1B
SCHEMBL309313 0.89 ACHE (0.44) MAPTHTR1AHTR7HTR4ACHE
SCHEMBL13178108 0.87 TTK (0.48) GAAHTR1AHTR7HTR4ADRA1B
SCHEMBL519583 0.86 PRKDC (0.41) GAAKDM4EMAPTMAPK1HTT
SCHEMBL519584 0.86 PRKDC (0.41) GAAKDM4EMAPTMAPK1HTT
SCHEMBL519585 0.86 PRKDC (0.41) GAAKDM4EMAPTMAPK1HTT
SCHEMBL14180551 0.85 HTR1A (0.43) GAAKDM4EMAPTMAPK1HTT
SCHEMBL438444 0.83 MAPT (0.63) GAAKDM4EMAPTMAPK1HTT
SCHEMBL29446146 0.83 MAPT (0.63) GAAKDM4EMAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GAA 1644/4885KDM4E 790/4885MAPT 2367/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 GAA 1644/4885KDM4E 790/4885MAPT 2367/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 GAA 3085/4885KDM4E 192/4885MAPT 3109/4885

“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.