SCHEMBL4816741

SCHEMBL4816741

CC(C)(CC(=O)C(=O)Nc1cccc2ncccc12)c1cc(F)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 3/20 0.49
CLK1 P49759 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NR3C1 P04150 2/20 0.49
ALDH1A1 P00352 3/20 0.47
PGR P06401 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
PABPC1 P11940 3/20 0.46
EIF4H Q15056 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
P2RX7 Q99572 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL4825651 0.87 PABPC1 (0.56) MAPTCLK1KDM4EALDH1A1LMNA
SCHEMBL3700968 0.81 NR3C1 (0.56) CYP1A2CYP3A4MAPTCLK1KDM4E
SCHEMBL4824878 0.80 NR3C1 (0.54) CYP1A2CYP3A4MAPTKDM4ENR3C1
SCHEMBL4824745 0.78 PABPC1 (0.56) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL4824889 0.76 MAPT (0.60) CYP1A2CYP3A4MAPTKDM4ENR3C1
SCHEMBL4820520 0.76 MAPT (0.62) CYP1A2CYP3A4MAPTKDM4ENR3C1
SCHEMBL4821499 0.74 MEN1 (0.46) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4817091 0.74 CYP1A2 (0.49) CYP1A2CYP3A4MAPTCLK1KDM4E
SCHEMBL6409103 0.72 NR3C1 (0.49) NR3C1PGRMEN1KMT2APOLB
SCHEMBL4826451 0.70 ERCC5 (0.39) NR3C1PGR

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 10 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
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP 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
CN-1659144-A Quinoline and isoquinoline derivatives, process for their preparation and their use as inflammation inhibitors SCHERING AG (DE) 2005-08-24 CN 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
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP 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
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO 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 CYP1A2 39/4885CYP3A4 30/4885MAPT 1366/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 CYP1A2 39/4885CYP3A4 30/4885MAPT 1366/4885

“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.