SCHEMBL1075422

SCHEMBL1075422

CC(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.45
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
JAK3 P52333 2/20 0.42
TYK2 P29597 1/20 0.42
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
NR3C1 P04150 1/20 0.32
DEGS1 O15121 1/20 0.32
MAPK3 P27361 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
SCHEMBL4356658 0.96 ALK (0.44) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4362569 0.95 ALK (0.42) ALKJAK2JAK1JAK3TYK2
SCHEMBL4353044 0.93 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075211 0.93 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL1074975 0.93 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL1075794 0.93 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL4362441 0.93 ALK (0.44) ALKJAK2JAK1JAK3TYK2
SCHEMBL1074190 0.93 ALK (0.55) ALKJAK2JAK1JAK3TYK2
SCHEMBL4362350 0.92 ALK (0.43) ALKJAK2JAK1JAK3TYK2
SCHEMBL1073119 0.91 ALK (0.43) 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 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.