SCHEMBL4335022

SCHEMBL4335022

O=C(O)Nc1cccc(COCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.42
EGFR P00533 10/20 0.42
JAK3 P52333 3/20 0.42
CTSC P53634 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR9 Q9NR96 1/20 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
SCHEMBL4364555 0.87 JAK3 (0.43) BTKEGFRJAK3CTSCNPC1
SCHEMBL4334439 0.86 KMT2A (0.46) BTKEGFRJAK3KMT2A
SCHEMBL1082504 0.86 JAK3 (0.48) BTKEGFRJAK3
SCHEMBL13623131 0.86 SYK (0.50) BTKEGFRJAK3
SCHEMBL1026445 0.84 JAK3 (0.42) BTKEGFRJAK3
SCHEMBL1027584 0.84 MAPT (0.51) BTKEGFRJAK3
SCHEMBL1026395 0.83 BCL6 (0.40) BTKEGFRJAK3CTSC
SCHEMBL4333056 0.83 EGFR (0.41) BTKEGFRJAK3CTSC
SCHEMBL1025084 0.83 JAK3 (0.42) BTKEGFRJAK3CTSC
SCHEMBL1024973 0.83 CTSC (0.40) BTKEGFRJAK3CTSC

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-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 BTK 20/4885EGFR 180/4885JAK3 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.