SCHEMBL320741

SCHEMBL320741

Clc1cc(-c2cncc(-c3cnc4ccccc4c3)c2)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.62
PDGFRA P16234 4/20 0.62
CYP2A6 P11509 1/20 0.59
PIK3CD O00329 2/20 0.52
PIK3CA P42336 2/20 0.52
BIRC5 O15392 1/20 0.50
MAP4K4 O95819 1/20 0.45
CSNK1G2 P78368 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
NISCH Q9Y2I1 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
CYP19A1 P11511 1/20 0.43
PIK3CB P42338 1/20 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
SCHEMBL27029455 0.94 PDGFRB (0.65) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL29931521 0.94 PDGFRB (0.65) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL2346887 0.77 PDGFRB (1.00) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL30323720 0.77 BIRC5 (0.77) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL27631118 0.77 BIRC5 (0.77) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL2772360 0.77 PDGFRB (0.77) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL32667946 0.77 PDGFRB (0.77) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL319631 0.76 PDGFRB (0.54) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL27191399 0.76 PDGFRB (0.61) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA
SCHEMBL29832072 0.75 CYP2A6 (0.93) PDGFRBPDGFRACYP2A6PIK3CDPIK3CA

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.