SCHEMBL4354570

SCHEMBL4354570

O=C(Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2)N[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.43
JAK2 O60674 3/20 0.42
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
USP30 Q70CQ3 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CXCR3 P49682 1/20 0.32
AXL P30530 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
EPHX2 P34913 1/20 0.32
KDM5A P29375 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
SCHEMBL1076605 0.94 ALK (0.45) ALKJAK2JAK3JAK1TYK2
SCHEMBL4361337 0.93 ALK (0.53) ALKJAK2JAK3JAK1TYK2
SCHEMBL1073204 0.93 ALK (0.53) ALKJAK2JAK3JAK1TYK2
SCHEMBL1076206 0.92 ALK (0.42) ALKJAK2JAK3JAK1TYK2
Trifluoroacetic Acid SCHEMBL4363614 0.91 ALK (0.42) ALKJAK2JAK3JAK1TYK2
SCHEMBL13622777 0.90 ALK (0.44) ALKJAK2JAK3JAK1TYK2
SCHEMBL4356575 0.89 ALK (0.40) ALKJAK2JAK3JAK1TYK2
SCHEMBL4357806 0.89 JAK2 (0.40) ALKJAK2JAK3JAK1TYK2
Trifluoroacetic Acid SCHEMBL4358015 0.89 ALK (0.40) ALKJAK2JAK3JAK1TYK2
SCHEMBL1072532 0.88 ALK (0.42) ALKJAK2JAK3JAK1TYK2

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 2 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-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 1/4885JAK3 4/4885

“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.