SCHEMBL10153774

SCHEMBL10153774

CN(C)CCCn1cc(-c2cncc(-c3ccnc(Cl)c3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAICS P22234 1/20 0.44
TGFBR1 P36897 12/20 0.41
MET P08581 1/20 0.41
MAP4K4 O95819 8/20 0.41
FLT3 P36888 4/20 0.39
KDR P35968 1/20 0.39
ROCK2 O75116 1/20 0.39
PHKG1 Q16816 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 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
SCHEMBL320375 0.82 TGFBR1 (0.51) PAICSTGFBR1METMAP4K4FLT3
SCHEMBL320854 0.80 TGFBR1 (0.59) TGFBR1MAP4K4FLT3KDRROCK2
SCHEMBL319767 0.79 TGFBR1 (0.60) TGFBR1METMAP4K4FLT3ROCK2
SCHEMBL15884263 0.75 MET (0.52) PAICSMETKDRJAK2JAK1
Benzene SCHEMBL27662532 0.72 PIK3CD (0.44) TGFBR1JAK2
SCHEMBL2325058 0.71 TGFBR1 (0.41) PAICSTGFBR1METMAP4K4FLT3
SCHEMBL14947690 0.70 DYRK1A (0.46) TGFBR1METFLT3KDR
SCHEMBL31107039 0.70 DYRK1A (0.46) TGFBR1METFLT3KDR
SCHEMBL320104 0.70 MET (0.52) MET
SCHEMBL15726284 0.68 MET (0.52) PAICSMETFLT3KDRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
US-9051307-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2015-06-09 US disclosed
EP-2590946-B1 Bipyridyl derivatives useful for the treatment of kinase-induced diseases MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336201-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
US-20130102608-A1 BIPYRIDYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 US disclosed
WO-2012003912-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES MERCK PATENT GMBH (DE) 2012-01-12 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 (2 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-20130102608-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 PAICS 1301/4885TGFBR1 1/4885MET 341/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 PAICS 1301/4885TGFBR1 1/4885MET 341/4885

“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.