SCHEMBL320832

SCHEMBL320832

Fc1ccccc1-c1cc(-c2cncc(-c3cnc4[nH]c(C(F)(F)F)cc4c3)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA1 P14867 1/20 0.45
TGFBR1 P36897 2/20 0.43
ULK1 O75385 2/20 0.41
CLK2 P49760 5/20 0.40
DYRK1A Q13627 5/20 0.40
PLK4 O00444 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40
MET P08581 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL319795 0.79 ULK1 (0.38) ULK1MAPK13MAPK12MAPK14
SCHEMBL319631 0.78 PDGFRB (0.54) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL12505619 0.72 TGFBR1 (0.50) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL320852 0.70 NPC1 (0.58) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL320476 0.68 PIM1 (0.47) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL320368 0.66 TGFBR1 (0.49) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL319998 0.66 TGFBR1 (0.44) GABRG2GABRB3GABRA3GABRA1TGFBR1
SCHEMBL10153132 0.66 ACVR1B (0.52) TGFBR1CLK2DYRK1APLK4PRKD3
SCHEMBL320657 0.66 TGFBR1 (0.51) TGFBR1MAP4K4MET
SCHEMBL320855 0.65 MAP4K1 (0.56) METPIM1

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 GABRG2 2182/4885GABRB3 1024/4885GABRA3 2005/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 GABRG2 2182/4885GABRB3 1024/4885GABRA3 2005/4885

“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.