SCHEMBL1075796

SCHEMBL1075796

N#Cc1ccccc1NC(=O)N1CC[C@@H](CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.40
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
FAAH O00519 1/20 0.32
USP30 Q70CQ3 3/20 0.32
SMO Q99835 1/20 0.32
MAP4K3 Q8IVH8 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL1074177 1.00 ALK (0.40) ALKJAK2JAK1TYK2JAK3
SCHEMBL4358223 0.96 ALK (0.41) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4367352 0.96 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4352361 0.96 ALK (0.38) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357377 0.92 ALK (0.38) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074509 0.91 ALK (0.40) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075525 0.91 ALK (0.40) ALKJAK2JAK1TYK2JAK3
SCHEMBL1073677 0.90 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076311 0.90 ALK (0.42) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075960 0.90 ALK (0.42) 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 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 3/4885JAK2 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.