Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833606

SCHEMBL4833606

SCHEMBL4833606

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(N(C)CCCN(C)C)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.58
▸ RAF1 P04049 2/20 0.45
▸ BRAF P15056 2/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ HSPB1 P04792 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45

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
SCHEMBL6084723 0.94 MAPK14 (0.58) MAPK14RAF1BRAF
SCHEMBL4824342 0.93 MAPK14 (0.52) MAPK14RAF1BRAFMAPK13HSPB1
SCHEMBL4827685 0.89 MAPK14 (0.60) MAPK14RAF1BRAFMAPK13HSPB1
SCHEMBL4831641 0.86 MAPK14 (0.60) MAPK14RAF1BRAFMAPK13HSPB1
SCHEMBL4827471 0.84 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL4831424 0.84 CSF1R (0.56) MAPK14RAF1BRAF
SCHEMBL5897231 0.84 MAPK14 (0.68) MAPK14RAF1BRAF
SCHEMBL4829504 0.83 MAPK14 (0.61) MAPK14RAF1BRAFMAPK13HSPB1
SCHEMBL6979195 0.82 MAPK14 (0.63) MAPK14BRAF
SCHEMBL6978611 0.82 MAPK14 (0.59) MAPK14RAF1BRAF

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 11 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-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 — — US disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 — — EP disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 — — EP disclosed
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 — — EP disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 — — WO disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 — — WO disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 — — 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 (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-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B MAPK14 2834/4885RAF1 2448/4885BRAF 3175/4885

“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.