SCHEMBL4914783

SCHEMBL4914783

CCC(C)(C)[C@@H](C)Nc1nc(Nc2cccc(NS(C)(=O)=O)c2)nc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.49
JAK2 O60674 3/20 0.49
JAK1 P23458 3/20 0.41
TGFBR1 P36897 1/20 0.41
TTK P33981 1/20 0.39
PTK2 Q05397 5/20 0.39
JAK3 P52333 1/20 0.39
PAK4 O96013 3/20 0.38
EPHB4 P54760 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
SCHEMBL4909551 0.91 JAK2 (0.51) BRD4JAK2JAK1TGFBR1TTK
SCHEMBL4914224 0.91 JAK2 (0.51) BRD4JAK2JAK1TGFBR1TTK
SCHEMBL4920915 0.86 JAK2 (0.50) BRD4JAK2JAK1TGFBR1TTK
SCHEMBL4917672 0.85 PTK2 (0.39) BRD4JAK2JAK1PTK2JAK3
SCHEMBL4919419 0.82 JAK2 (0.46) BRD4JAK2JAK1TGFBR1PTK2
SCHEMBL4918495 0.79 JAK2 (0.46) BRD4JAK2JAK1TGFBR1TTK
SCHEMBL4914873 0.77 PAK4 (0.63) BRD4JAK2JAK3PAK4
SCHEMBL4917648 0.76 PTK2 (0.40) BRD4JAK2JAK1PTK2JAK3
SCHEMBL4916456 0.76 PTK2 (0.40) BRD4JAK2JAK1PTK2JAK3
SCHEMBL4650409 0.76 PTK2 (0.51) BRD4JAK2JAK1TGFBR1PTK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors NOVARTIS AG (CH) 2008-10-23 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-20080261973-A1 Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors GRK4, JAK2, ALK BRD4 93/4885JAK2 2/4885JAK1 6/4885

“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.