SCHEMBL4359500

SCHEMBL4359500

O=C(Nc1ccccc1)N1CCN(c2cc(-c3cc4cc(c3)Nc3ncc(Cl)c(n3)Nc3cccc(c3)OCC4)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.48
JAK1 P23458 12/20 0.48
TYK2 P29597 12/20 0.48
JAK3 P52333 12/20 0.48
ALK Q9UM73 7/20 0.48
MAPK10 P53779 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
FLT3 P36888 1/20 0.39
CCNA1 P78396 1/20 0.39
TRPV1 Q8NER1 2/20 0.37

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 SCHEMBL4364290 0.96 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
SCHEMBL4360917 0.91 JAK2 (0.48) JAK2JAK1TYK2JAK3ALK
SCHEMBL1075146 0.90 JAK2 (0.46) JAK2JAK1TYK2JAK3ALK
SCHEMBL4358120 0.90 JAK2 (0.48) JAK2JAK1TYK2JAK3ALK
SCHEMBL4361864 0.89 JAK2 (0.53) JAK2JAK1TYK2JAK3ALK
SCHEMBL1073141 0.89 JAK2 (0.51) JAK2JAK1TYK2JAK3ALK
SCHEMBL4357881 0.88 JAK2 (0.47) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4364593 0.88 JAK2 (0.45) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4364901 0.87 JAK2 (0.44) JAK2JAK1TYK2JAK3ALK
Trifluoroacetic Acid SCHEMBL4357981 0.87 JAK2 (0.43) 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 7 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
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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.