SCHEMBL4357322

SCHEMBL4357322

O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)C1CCN(C(=O)NC2CCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.51
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 6/20 0.38
JAK1 P23458 6/20 0.38
TYK2 P29597 6/20 0.38
JAK3 P52333 6/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
STK26 Q9P289 1/20 0.38
STK24 Q9Y6E0 1/20 0.38

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
SCHEMBL1076245 0.96 ALK (0.50) ALKUSP2TDP1CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL4361071 0.95 ALK (0.47) ALKUSP2TDP1CYP3A4ALDH1A1
SCHEMBL4363395 0.92 ALK (0.49) ALKUSP2ALDH1A1JAK2JAK1
Trifluoroacetic Acid SCHEMBL4359246 0.91 ALK (0.46) ALKUSP2TDP1CYP3A4ALDH1A1
SCHEMBL1072593 0.90 ALK (0.55) ALKJAK2JAK1TYK2JAK3
SCHEMBL4357600 0.89 ALK (0.50) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075159 0.89 ALK (0.56) ALKJAK2JAK1TYK2JAK3
SCHEMBL4360904 0.89 ALK (0.54) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075366 0.89 ALK (0.52) ALKTDP1JAK2JAK1TYK2
SCHEMBL4352464 0.89 ALK (0.57) 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 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

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 3/4885USP2 2291/4885TDP1 1824/4885

“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.