SCHEMBL13622611

SCHEMBL13622611

O=C(CCC1CCNCC1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.44
JAK1 P23458 7/20 0.44
TYK2 P29597 7/20 0.44
JAK3 P52333 7/20 0.44
ALK Q9UM73 10/20 0.41
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
STK4 Q13043 2/20 0.34
STK3 Q13188 2/20 0.34
STK26 Q9P289 2/20 0.34
STK24 Q9Y6E0 2/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL1073959 0.92 ALK (0.51) JAK2JAK1TYK2JAK3ALK
SCHEMBL1073047 0.92 JAK2 (0.45) JAK2JAK1TYK2JAK3ALK
SCHEMBL13633109 0.92 JAK2 (0.37) JAK2JAK1TYK2JAK3ALK
SCHEMBL1075074 0.89 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL13623234 0.89 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL13623230 0.89 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL1075202 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL1075158 0.89 JAK2 (0.41) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4353863 0.88 ALK (0.47) JAK2JAK1TYK2JAK3ALK
SCHEMBL4352494 0.87 JAK2 (0.47) JAK2JAK1TYK2JAK3ALK

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 4 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-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

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 JAK2 1/4885JAK1 2/4885TYK2 16/4885

“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.