SCHEMBL4821113

SCHEMBL4821113

COC(=O)c1ccc2c(N=CC(O)(CC(C)(C)c3ccc(Cl)cc3OC)C(F)(F)F)cccc2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
NR3C1 P04150 9/20 0.37
IGF1R P08069 2/20 0.35
CYP19A1 P11511 1/20 0.34
NR3C2 P08235 4/20 0.33
PGR P06401 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CTSA P10619 2/20 0.32

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
SCHEMBL4821100 1.00 MRGPRX4 (0.40) MRGPRX4NR3C1IGF1RCYP19A1NR3C2
SCHEMBL4821088 1.00 MRGPRX4 (0.40) MRGPRX4NR3C1IGF1RCYP19A1NR3C2
SCHEMBL4823443 0.94 MRGPRX4 (0.43) MRGPRX4NR3C1IGF1RNR3C2PGR
SCHEMBL4823435 0.94 MRGPRX4 (0.43) MRGPRX4NR3C1IGF1RNR3C2PGR
SCHEMBL4823447 0.94 MRGPRX4 (0.43) MRGPRX4NR3C1IGF1RNR3C2PGR
SCHEMBL4820381 0.92 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4820376 0.92 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL4820369 0.92 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL5201683 0.88 NR3C1 (0.36) NR3C1IGF1RCYP19A1NR3C2PGR
SCHEMBL5203059 0.87 NR3C1 (0.35) NR3C1IGF1RCYP19A1NR3C2PGR

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-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 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 (2 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 MRGPRX4 451/4885NR3C1 2380/4885IGF1R 3096/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 MRGPRX4 451/4885NR3C1 2380/4885IGF1R 3096/4885

“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.