SCHEMBL319631

SCHEMBL319631

Fc1ccccc1-c1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
CYP2A6 P11509 1/20 0.51
NPC1 O15118 3/20 0.48
TGFBR1 P36897 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
BIRC5 O15392 1/20 0.44
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA1 P14867 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAP4K4 O95819 3/20 0.43
CSNK1G2 P78368 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43

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
SCHEMBL12505619 0.79 TGFBR1 (0.50) NPC1TGFBR1GABRG2GABRB3GABRA3
SCHEMBL320832 0.78 GABRG2 (0.45) NPC1TGFBR1GABRG2GABRB3GABRA3
SCHEMBL320852 0.77 NPC1 (0.58) CYP2A6NPC1TGFBR1PIK3CAGABRG2
SCHEMBL320741 0.76 PDGFRB (0.62) PDGFRBPDGFRACYP2A6NPC1PIK3CD
SCHEMBL321456 0.75 CYP2A6 (0.75) PDGFRBPDGFRACYP2A6NPC1PIK3CD
SCHEMBL320368 0.73 TGFBR1 (0.49) NPC1TGFBR1GABRG2GABRB3GABRA3
SCHEMBL319998 0.72 TGFBR1 (0.44) NPC1TGFBR1GABRG2GABRB3GABRA3
SCHEMBL10153132 0.72 ACVR1B (0.52) TGFBR1MAP4K4CLK4PLK4PRKD3
SCHEMBL320476 0.72 PIM1 (0.47) TGFBR1GABRG2GABRB3GABRA3GABRA1
SCHEMBL320657 0.72 TGFBR1 (0.51) TGFBR1MAP4K4MET

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 17 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
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
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 PDGFRB 87/4885PDGFRA 209/4885CYP2A6 3583/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 PDGFRB 87/4885PDGFRA 209/4885CYP2A6 3583/4885

“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.