SCHEMBL1025568

SCHEMBL1025568

O=C(O)Nc1cccc(SCCOc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.42
BTK Q06187 7/20 0.41
JAK3 P52333 2/20 0.41
EGFR P00533 8/20 0.40
ITK Q08881 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.39
ALK Q9UM73 1/20 0.39
SYK P43405 2/20 0.39

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
SCHEMBL13623112 0.87 EGFR (0.46) CTSCBTKJAK3EGFRITK
SCHEMBL4333056 0.86 EGFR (0.41) CTSCBTKJAK3EGFRMET
SCHEMBL4334815 0.85 EGFR (0.42) CTSCBTKEGFRMETALK
SCHEMBL4360886 0.85 CTSC (0.45) CTSCBTKJAK3EGFRITK
SCHEMBL1028822 0.85 CTSC (0.39) CTSCBTKJAK3EGFRITK
SCHEMBL1026332 0.85 BCL6 (0.41) CTSCJAK3EGFRSMN1; SMN2SYK
SCHEMBL1026445 0.83 JAK3 (0.42) BTKJAK3EGFRMETALK
SCHEMBL1025065 0.82 PIN1 (0.43) EGFRGAASMN1; SMN2
SCHEMBL1023372 0.79 SYK (0.59) CTSCJAK3EGFRITKSYK
SCHEMBL1025353 0.79 BCL6 (0.41) CTSCJAK3EGFRMETALK

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 4 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP 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 CTSC 1827/4885BTK 20/4885JAK3 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.