SCHEMBL1765446

SCHEMBL1765446

CCOC(=O)c1cc(-c2cc(F)cc(C#N)c2)n(-c2cccc(C#N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.49
CA9 Q16790 3/20 0.46
THRB P10828 1/20 0.46
FAAH O00519 7/20 0.45
TP53 P04637 1/20 0.45
MGLL Q99685 3/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL2 P10415 1/20 0.41
MDM2 Q00987 1/20 0.41
MCL1 Q07820 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL1764971 0.93 TP53 (0.48) CHRNA7CA9THRBFAAHTP53
SCHEMBL1765413 0.92 CHRNA7 (0.47) CHRNA7CA9THRBFAAHTP53
SCHEMBL1765264 0.91 CA9 (0.54) CHRNA7CA9FAAHTP53MGLL
SCHEMBL1764882 0.87 CHRNA7 (0.50) CHRNA7CA9FAAHTP53MGLL
SCHEMBL1765054 0.86 CHRNA7 (0.49) CHRNA7CA9FAAHTP53MGLL
SCHEMBL2193884 0.85 TP53 (0.52) CHRNA7CA9FAAHTP53MGLL
SCHEMBL3434266 0.85 PGR (0.39) CHRNA7THRBBCL2MDM2MCL1
SCHEMBL1765367 0.85 CHRNA7 (0.50) CHRNA7CA9THRBFAAHTP53
SCHEMBL1764877 0.85 RPA1 (0.53) KMT2ABCL2MDM2MCL1
SCHEMBL1765262 0.84 TP53 (0.52) CHRNA7CA9FAAHTP53MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-8399682-B2 Substituted (pyrazolylcarbonyl)imidazolidinones and their use AICURIS GMBH & CO. KG (DE) 2013-03-19 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 US disclosed
US-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-05-26 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-20110124618-A1 SUBSTITUTED (PYRAZOLYLCARBONYL)IMIDAZOLIDINONES AND THEIR USE TPMT, PAICS, THPO CHRNA7 3365/4885CA9 4825/4885THRB 2839/4885

“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.