SCHEMBL4333056

SCHEMBL4333056

O=C(O)Nc1cccc(SCCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.41
BTK Q06187 5/20 0.40
MET P08581 2/20 0.40
ALK Q9UM73 2/20 0.40
CTSC P53634 1/20 0.39
MAPT P10636 1/20 0.39
JAK3 P52333 2/20 0.39
RHOA P61586 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
SCHEMBL1026445 0.91 JAK3 (0.42) EGFRBTKMETALKMAPT
SCHEMBL1025084 0.88 JAK3 (0.42) EGFRBTKCTSCMAPTJAK3
SCHEMBL4334815 0.87 EGFR (0.42) EGFRBTKMETALKCTSC
SCHEMBL1025568 0.86 CTSC (0.42) EGFRBTKMETALKCTSC
SCHEMBL13623126 0.86 SYK (0.45) EGFRBTKMETALK
SCHEMBL4364555 0.85 JAK3 (0.43) EGFRBTKCTSCMAPTJAK3
SCHEMBL1027094 0.85 BCL6 (0.43) EGFRMETALKCTSCJAK3
SCHEMBL1027584 0.85 MAPT (0.51) EGFRBTKMETALKMAPT
SCHEMBL1027670 0.85 BCL6 (0.38) EGFRBTKMETALKCTSC
SCHEMBL1024973 0.84 CTSC (0.40) EGFRBTKCTSCJAK3RHOA

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 EGFR 180/4885BTK 20/4885MET 599/4885

“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.