SCHEMBL15968809

SCHEMBL15968809

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1Nc1cnc(C#N)c(Nc2cccc(CN3CCN(C(=O)OC(C)(C)C)CC3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.37
JAK3 P52333 3/20 0.37
BTK Q06187 2/20 0.37
KCNH2 Q12809 1/20 0.37
TBK1 Q9UHD2 8/20 0.37
LCK P06239 2/20 0.36
EGFR P00533 1/20 0.36
NSD2 O96028 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
GPR119 Q8TDV5 2/20 0.35

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
SCHEMBL14842186 0.92 SYK (0.37) SYKJAK3BTKKCNH2
SCHEMBL14851057 0.78 JAK3 (0.39) SYKJAK3BTKKCNH2
SCHEMBL15968495 0.77 SYK (0.39) SYKJAK3BTKKCNH2
SCHEMBL15968258 0.76 SYK (0.39) SYKJAK3BTKKCNH2
SCHEMBL14851132 0.75 SYK (0.45) SYKJAK3BTKKCNH2
SCHEMBL15686727 0.75 JAK3 (0.41) SYKJAK3BTKKCNH2
SCHEMBL15968468 0.75 SYK (0.46) SYKKCNH2
SCHEMBL16123699 0.74 SYK (0.41) SYKJAK3BTKKCNH2
SCHEMBL16123683 0.73 SYK (0.38) SYKJAK3BTKKCNH2
SCHEMBL14851183 0.71 JAK3 (0.44) SYKJAK3BTKGPR119

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
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK SYK 1/4885JAK3 69/4885BTK 2/4885

“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.