SCHEMBL16472201

SCHEMBL16472201

C=C(c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ncccc12)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
DYRK1A Q13627 2/20 0.33
CNR1 P21554 6/20 0.32
CNR2 P34972 6/20 0.32
FEN1 P39748 1/20 0.31
IDO1 P14902 1/20 0.30
HTR3A P46098 2/20 0.30

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
SCHEMBL16472204 0.84 PDE4A (0.37) ELANEPDE4AKCNH2CNR1CNR2
SCHEMBL12500821 0.78 PDE4A (0.37) ELANEPDE4AKCNH2CNR1CNR2
SCHEMBL411033 0.73 ELANE (0.36) ELANEDYRK1A
SCHEMBL414164 0.73 ELANE (0.42) ELANEPDE4AKCNH2DYRK1AFEN1
SCHEMBL415255 0.73 ELANE (0.42) ELANEPDE4AKCNH2DYRK1AFEN1
SCHEMBL15640343 0.73 LMNA (0.48) PDE4AKCNH2CNR1CNR2
SCHEMBL416093 0.70 L3MBTL1 (0.35) ELANEPDE4AKCNH2DYRK1AFEN1
SCHEMBL413483 0.70 KMT2A (0.41) ELANEPDE4AKCNH2FEN1IDO1
SCHEMBL12500880 0.68 PTGDR2 (0.47) CNR2
SCHEMBL12147051 0.68 KDM4E (0.46) PDE4AKCNH2CNR1CNR2FEN1

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-20140011806-A1 PYRAZOLE DERIVATIVES AS ERK INHIBITORS KINENTIA BIOSCIENCES LLC (US) 2014-01-09 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-20140011806-A1 PYRAZOLE DERIVATIVES AS ERK INHIBITORS MAPK1, MAP3K1, MAP3K5 ELANE 2981/4885PDE4A 2509/4885KCNH2 3696/4885

“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.