SCHEMBL319361

SCHEMBL319361

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 2/20 0.55
MET P08581 6/20 0.50
ALK Q9UM73 6/20 0.50
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
ERBB4 Q15303 1/20 0.48
MAP4K3 Q8IVH8 3/20 0.47
JAK2 O60674 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
IRAK4 Q9NWZ3 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
Hydrochloric Acid SCHEMBL321751 0.99 INPPL1 (0.54) INPPL1METALKEGFRERBB2
SCHEMBL320855 0.89 MAP4K1 (0.56) METALKCHRNB2CHRNA4IRAK4
SCHEMBL319690 0.88 MET (0.52) INPPL1MET
SCHEMBL2321067 0.83 INPPL1 (0.50) INPPL1METALKEGFRERBB2
Hydrochloric Acid SCHEMBL2324061 0.83 INPPL1 (0.49) INPPL1METALKEGFRERBB2
SCHEMBL319837 0.82 CCNC (0.49) MET
SCHEMBL10153117 0.79 NTRK1 (0.51) METIRAK4
Hydrochloric Acid SCHEMBL320673 0.79 NTRK1 (0.51) METIRAK4
SCHEMBL320680 0.76 MET (0.46) METMAP4K3IRAK4
SCHEMBL2324841 0.76 MAP4K3 (0.47) METALKMAP4K3CHRNB2CHRNA4

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 INPPL1 297/4885MET 341/4885ALK 955/4885
US-20140336201-A1 BIPYRIDYL DERIVATIVES TGFBR1, TGFBR2, SMAD2 INPPL1 297/4885MET 341/4885ALK 955/4885

“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.