SCHEMBL12495538

SCHEMBL12495538

CC(C)(C)OC(=O)N1CCC(n2cc(-c3cncc(-c4cc(-c5ccccc5F)nc5nccnc45)c3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.49
MET P08581 6/20 0.44
TNK2 Q07912 1/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
FGFR1 P11362 2/20 0.41
FGFR2 P21802 2/20 0.41
FGFR4 P22455 2/20 0.41
FGFR3 P22607 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
TTK P33981 2/20 0.41
GPR119 Q8TDV5 1/20 0.41
LIPC P11150 1/20 0.41
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL2330119 0.91 MET (0.47) MAP4K1METTNK2CCNCCDK8
SCHEMBL12524281 0.85 MAP4K1 (0.47) MAP4K1METFGFR1FGFR2FGFR3
SCHEMBL2321632 0.84 MET (0.47) METTNK2CCNCCDK8FGFR1
SCHEMBL13978015 0.83 MET (0.46) MAP4K1METTNK2CCNCCDK8
SCHEMBL12527177 0.83 MAP4K1 (0.58) MAP4K1METJAK2JAK3
SCHEMBL319837 0.79 CCNC (0.49) METTNK2CCNCCDK8FGFR1
SCHEMBL320524 0.78 CCNC (0.46) METTNK2CCNCCDK8FGFR1
SCHEMBL12524282 0.77 MET (0.49) MAP4K1METFGFR1FGFR2FGFR3
SCHEMBL12495426 0.77 MAP4K1 (0.51) MAP4K1METCCNCCDK8KDR
SCHEMBL2323319 0.75 MET (0.43) MAP4K1METFGFR1FGFR2FGFR3

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
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051318-B2 Pyrido [2, 3-B] pyrazine compounds and their therapeutical uses such as for inhibiting ATP consuming proteins and treating diseases associated therewith MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2683715-B1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
EP-2683715-B1 PYRIDO[2,3-B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2015-04-15 EP disclosed
EP-2683715-A1 PYRIDO [2, 3 - B]PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES Merck Patent GmbH (DE) 2014-01-15 EP disclosed
US-20130345227-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2013-12-26 US disclosed
WO-2012119690-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES MERCK PATENT GMBH (DE) 2012-09-13 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-20130345227-A1 PYRIDO [2, 3 - B] PYRAZINE DERIVATIVES AND THEIR THERAPEUTICAL USES TGFBR1, TGFBR2, PDXK MAP4K1 28/4885MET 653/4885TNK2 282/4885

“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.