SCHEMBL4356037

SCHEMBL4356037

CC(C)(C)OC(=O)N1CCN(C(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.48
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.36
CCNK O75909 1/20 0.35
CCND3 P30281 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
CCNT1 O60563 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL1074307 0.90 ALK (0.49) ALKJAK2JAK1TYK2JAK3
SCHEMBL4358783 0.89 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL4367271 0.88 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074042 0.87 ALK (0.48) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076010 0.87 ALK (0.47) ALKJAK2JAK1TYK2JAK3
SCHEMBL1074580 0.87 ALK (0.55) ALKJAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL1075040 0.86 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356528 0.86 ALK (0.45) ALKJAK2JAK1TYK2JAK3
SCHEMBL13622777 0.86 ALK (0.44) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075514 0.85 ALK (0.52) 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 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 disclosed
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
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.