SCHEMBL320855

SCHEMBL320855

Fc1ccccc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.56
ALK Q9UM73 11/20 0.54
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
MET P08581 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
PAK1 Q13153 2/20 0.49
PAK4 O96013 1/20 0.48
PIM1 P11309 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2C19 P33261 1/20 0.46
PDK4 Q16654 1/20 0.46
CYP3A43 Q9HB55 1/20 0.46

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
SCHEMBL319361 0.89 INPPL1 (0.55) ALKCHRNB2CHRNA4METIRAK4
Hydrochloric Acid SCHEMBL321751 0.88 INPPL1 (0.54) ALKCHRNB2CHRNA4METIRAK4
SCHEMBL320961 0.87 MET (0.47) MAP4K1ALKMETIRAK4
SCHEMBL12527177 0.83 MAP4K1 (0.58) MAP4K1ALKCHRNB2CHRNA4MET
SCHEMBL2320474 0.83 MAP4K1 (0.53) MAP4K1ALKCHRNB2CHRNA4MET
Hydrochloric Acid SCHEMBL13834975 0.82 MAP4K1 (0.52) MAP4K1ALKCHRNB2CHRNA4MET
SCHEMBL10153117 0.77 NTRK1 (0.51) METIRAK4
Hydrochloric Acid SCHEMBL320673 0.76 NTRK1 (0.51) METIRAK4
SCHEMBL319690 0.76 MET (0.52) MET
SCHEMBL3718389 0.76 MAP4K3 (0.53) ALKMETIRAK4PIM1

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 MAP4K1 45/4885ALK 955/4885CHRNB2 2411/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 MAP4K1 45/4885ALK 955/4885CHRNB2 2411/4885

“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.