SCHEMBL4833700

SCHEMBL4833700

Nc1cccc(NC(=O)c2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.61
PIK3CA P42336 1/20 0.57
AURKA O14965 1/20 0.56
RPS6KB1 P23443 1/20 0.56
MAPK14 Q16539 4/20 0.55
BRAF P15056 10/20 0.55
RAF1 P04049 9/20 0.55
HSPB1 P04792 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53

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
SCHEMBL7692421 0.88 MAPK13 (0.60) MAPK13PIK3CAAURKARPS6KB1MAPK14
SCHEMBL12763857 0.87 MAPK13 (0.61) MAPK13PIK3CAMAPK14BRAFRAF1
SCHEMBL4833935 0.83 NPC1 (0.61) MAPK13PIK3CAMAPK14BRAFRAF1
SCHEMBL5897176 0.83 MAPK13 (0.62) MAPK13PIK3CAMAPK14BRAFRAF1
SCHEMBL4827539 0.83 MAPK14 (0.66) MAPK13MAPK14BRAFRAF1HSPB1
SCHEMBL31524076 0.83 MAPK14 (0.66) MAPK13MAPK14BRAFRAF1HSPB1
SCHEMBL4831994 0.81 MAPK14 (0.57) MAPK13AURKARPS6KB1MAPK14BRAF
SCHEMBL27461654 0.81 MAPK13 (0.60) MAPK13PIK3CAAURKARPS6KB1MAPK14
SCHEMBL12764085 0.81 MAPK14 (0.69) MAPK13MAPK14BRAFRAF1HSPB1
SCHEMBL1517272 0.81 RAF1 (0.57) MAPK13PIK3CABRAFRAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20050245551-A1 Amide derivatives ASTRAZENECA AB 2005-11-03 US disclosed
CN-1158266-C Chemical compounds 2004-07-21 CN disclosed
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 US disclosed
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof ASTRAZENECA AB 2003-11-20 US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
CN-1321151-A Chemical compounds ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 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 (3 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-20050245551-A1 Amide derivatives IL6, IL6ST, IL1B MAPK13 3593/4885PIK3CA 4493/4885AURKA 3640/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAPK13 3593/4885PIK3CA 4493/4885AURKA 3640/4885
US-20030216417-A1 Substituted anilino-quinoline compounds and use thereof IL6, IL6ST, IL1A MAPK13 3212/4885PIK3CA 2330/4885AURKA 1171/4885

“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.