SCHEMBL721655

SCHEMBL721655

CC(c1ccccc1)n1cc(-c2cn(C(=O)OC(C)(C)C)c3ncc(-c4cnn(C)c4)cc23)nn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
RET P07949 6/20 0.38
TTK P33981 1/20 0.38
CLK1 P49759 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.36
MET P08581 2/20 0.36
PDPK1 O15530 1/20 0.36
CREBBP Q92793 1/20 0.36
PDK2 Q15119 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
MST1R Q04912 1/20 0.35

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
SCHEMBL723198 0.90 EGLN1 (0.44) EGLN1CLK1HDAC8MAPK1MET
SCHEMBL296241 0.88 EGLN1 (0.39) EGLN1RETTTKCLK1HDAC8
SCHEMBL719766 0.83 KDR (0.49) EGLN1HDAC8MAPK1GSK3B
SCHEMBL285300 0.77 ALK (0.55) PDPK1
SCHEMBL15257727 0.74 RET (0.46) RETTTKMAPK1GSK3BDYRK1A
SCHEMBL719094 0.73 GSK3B (0.43) RETTTKMAPK1GSK3BDYRK1A
SCHEMBL721257 0.73 ALK (0.53) PDPK1
SCHEMBL10104592 0.69 MET (0.43) EGLN1RETMAPK1METGSK3B
SCHEMBL720700 0.69 ALK (0.52) PDPK1
SCHEMBL10104635 0.68 ALK (0.50) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427461-B1 3-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-09 EP disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-8541584-B2 3-(1,2,3-triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GMBH (DE) 2013-09-24 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
US-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 US disclosed
WO-2010127754-A1 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES MERCK PATENT GMBH (DE) 2010-11-11 WO 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 (1 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-20120053178-A1 3-(1,2,3-Triazol-4-yl) pyrrolo [2,3-b] pyridine derivatives PDK1, PDK2, PDK3 EGLN1 1168/4885RET 537/4885TTK 499/4885

“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.