SCHEMBL1076508

SCHEMBL1076508

N#Cc1ccc(N2CCN(C(=O)COc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.49
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ENPP2 Q13822 2/20 0.37
TP53 P04637 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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 SCHEMBL1075165 0.95 ALK (0.45) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075608 0.92 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL4368468 0.91 ALK (0.51) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076092 0.91 ALK (0.52) ALKJAK2JAK1TYK2JAK3
SCHEMBL4359693 0.91 ALK (0.54) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074434 0.88 ALK (0.53) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075305 0.88 ALK (0.51) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357665 0.88 ALK (0.44) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1074959 0.87 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1076382 0.87 ALK (0.50) ALKJAK2JAK1TYK2JAK3

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 9 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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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 3/4885JAK2 1/4885JAK1 2/4885

“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.