SCHEMBL4356849

SCHEMBL4356849

CC(=O)N1CCC(CN(C)Cc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.45
JAK2 O60674 5/20 0.42
JAK1 P23458 5/20 0.42
JAK3 P52333 5/20 0.42
TYK2 P29597 4/20 0.42
FAAH O00519 2/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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 SCHEMBL4358062 0.95 ALK (0.42) ALKJAK2JAK1JAK3TYK2
SCHEMBL13622945 0.91 ALK (0.44) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4355142 0.90 ALK (0.42) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075195 0.88 ALK (0.41) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075945 0.88 ALK (0.41) ALKJAK2JAK1JAK3TYK2
SCHEMBL13670158 0.88 ALK (0.40) ALKJAK2JAK1JAK3TYK2
SCHEMBL1076071 0.88 ALK (0.42) ALKJAK2JAK1JAK3TYK2
SCHEMBL1076288 0.88 JAK2 (0.46) ALKJAK2JAK1JAK3TYK2
Hydrochloric Acid SCHEMBL1072573 0.88 JAK2 (0.46) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4362730 0.87 ALK (0.41) ALKJAK2JAK1JAK3TYK2

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 6 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-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.