SCHEMBL13622640

SCHEMBL13622640

N#Cc1cccc(C(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.48
TACR2 P21452 2/20 0.42
TACR1 P25103 2/20 0.42
VNN1 O95497 1/20 0.37
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
STK26 Q9P289 1/20 0.36
STK24 Q9Y6E0 1/20 0.36
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
TYK2 P29597 3/20 0.36
JAK3 P52333 3/20 0.36
RORC P51449 4/20 0.36
SYK P43405 1/20 0.36

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 SCHEMBL1073935 0.96 ALK (0.45) ALKTACR2TACR1VNN1STK4
SCHEMBL1075377 0.95 ALK (0.42) ALKTACR2TACR1VNN1JAK2
SCHEMBL13622648 0.94 ALK (0.49) ALKTACR2TACR1STK4STK3
SCHEMBL1075341 0.91 ALK (0.51) ALKTACR2TACR1STK4STK3
Trifluoroacetic Acid SCHEMBL4369361 0.91 ALK (0.39) ALKTACR2TACR1VNN1JAK2
SCHEMBL13633018 0.90 ALK (0.48) ALKTACR2TACR1STK4STK3
Trifluoroacetic Acid SCHEMBL1075419 0.90 ALK (0.45) ALKTACR2TACR1STK4STK3
SCHEMBL1075174 0.89 ALK (0.50) ALKTACR2TACR1STK4STK3
SCHEMBL1076451 0.89 ALK (0.48) ALKTACR2TACR1STK4STK3
SCHEMBL13669863 0.88 ALK (0.49) ALKTACR2TACR1STK4STK3

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 3 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-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 3/4885TACR2 3473/4885TACR1 4290/4885

“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.