SCHEMBL4357595

SCHEMBL4357595

O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2cc(c1)Nc1nc(ncc1Cl)Nc1cccc(c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.49
MAPT P10636 5/20 0.47
JAK2 O60674 6/20 0.44
JAK1 P23458 6/20 0.44
TYK2 P29597 6/20 0.44
JAK3 P52333 6/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
UBE2N P61088 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.42

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 SCHEMBL4360273 0.95 ALK (0.45) ALKMAPTJAK2JAK1TYK2
SCHEMBL4367356 0.87 ALK (0.51) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075029 0.83 ALK (0.49) ALKJAK2JAK1TYK2JAK3
SCHEMBL4357079 0.83 ALK (0.50) ALKJAK2JAK1TYK2JAK3
SCHEMBL4365792 0.83 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4353852 0.82 ALK (0.46) ALKJAK2JAK1TYK2JAK3
SCHEMBL4371140 0.81 ALK (0.51) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356615 0.79 ALK (0.45) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357024 0.79 ALK (0.43) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4358227 0.78 ALK (0.45) ALKMAPTJAK2JAK1TYK2

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 5 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
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
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 3/4885MAPT 3239/4885JAK2 1/4885

“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.