SCHEMBL1075294

SCHEMBL1075294

O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)C1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.51
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
STK26 Q9P289 1/20 0.38
STK24 Q9Y6E0 1/20 0.38
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4360779 0.96 ALK (0.47) ALKPOLBMEN1KMT2ASTK4
SCHEMBL1072593 0.90 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL1075019 0.89 ALK (0.53) ALKSTK4STK3STK26STK24
SCHEMBL1075366 0.88 ALK (0.52) ALKSTK4STK3STK26STK24
SCHEMBL4352464 0.88 ALK (0.57) ALKSTK4STK3STK26STK24
SCHEMBL4359155 0.87 ALK (0.51) ALKSTK4STK3STK26STK24
SCHEMBL4357702 0.87 ALK (0.51) ALKSTK4STK3STK26STK24
SCHEMBL1075625 0.87 ALK (0.57) ALKSTK4STK3STK26STK24
SCHEMBL4360904 0.87 ALK (0.54) ALKSTK4STK3STK26STK24
SCHEMBL4352538 0.86 ALK (0.50) ALKMEN1KMT2AJAK2JAK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US claimed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US 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 (1 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885POLB 2346/4885MEN1 1321/4885

“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.