SCHEMBL320680

SCHEMBL320680

CN1CCC(n2cc(-c3cncc(-c4ccnc(-c5cc(C(F)(F)F)ccc5F)c4)c3)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.46
NTRK1 P04629 1/20 0.43
DYRK1A Q13627 4/20 0.41
WNT1 P04628 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KHK P50053 3/20 0.39
GSK3B P49841 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
OGA O60502 1/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
TGFBR1 P36897 1/20 0.37

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
SCHEMBL10153117 0.89 NTRK1 (0.51) METNTRK1DYRK1AWNT1IRAK4
SCHEMBL319690 0.88 MET (0.52) METNTRK1DYRK1AWNT1GSK3B
Hydrochloric Acid SCHEMBL320673 0.88 NTRK1 (0.51) METNTRK1DYRK1AWNT1IRAK4
SCHEMBL320961 0.86 MET (0.47) METNTRK1DYRK1AWNT1IRAK4
SCHEMBL2330194 0.84 MET (0.42) METNTRK1DYRK1AWNT1IRAK4
SCHEMBL14877156 0.77 PDK2 (0.45) METTGFBR1
SCHEMBL319361 0.76 INPPL1 (0.55) METIRAK4MAP4K3
SCHEMBL320524 0.76 CCNC (0.46) METFGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL321751 0.76 INPPL1 (0.54) METIRAK4MAP4K3
SCHEMBL319837 0.76 CCNC (0.49) METFGFR1FGFR2FGFR3

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 15 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
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-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-8846931-B2 Bipyridyl derivatives MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-2590946-A1 BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES Merck Patent GmbH (DE) 2013-05-15 EP 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
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 MET 341/4885NTRK1 946/4885DYRK1A 604/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 MET 341/4885NTRK1 946/4885DYRK1A 604/4885

“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.