Sugi Predict

Sugi Predict / Compounds / SCHEMBL13688795

SCHEMBL13688795

SCHEMBL13688795

CN1CCN(c2nccc(Oc3cccc4cc(C(=O)Nc5cc(C(C)(C)C)ccc5[S+](C)[O-])n(C)c34)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 8/20 0.37
▸ MAPK14 Q16539 6/20 0.37
▸ MAP3K7 O43318 1/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ GSK3A P49840 2/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ P2RY1 P47900 1/20 0.33
▸ KDR P35968 1/20 0.33

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
SCHEMBL5685202 0.89 BRAF (0.47) BRAFMAPK14GSK3APTK2
SCHEMBL4198919 0.87 BRAF (0.37) BRAFGSK3AP2RY1KDR
SCHEMBL13688785 0.86 MAPK14 (0.39) BRAFMAPK14MAP3K7MAP2K1GSK3A
SCHEMBL14276192 0.82 MAPK14 (0.45) MAPK14GSK3APTK2
SCHEMBL13688789 0.82 GSK3A (0.43) BRAFMAPK14GSK3A
SCHEMBL5682608 0.82 MAPK14 (0.57) BRAFMAPK14GSK3A
SCHEMBL14276165 0.81 MAPK14 (0.44) MAPK14GSK3A
SCHEMBL13688769 0.81 MAPK14 (0.40) BRAFMAPK14MAP3K7MAP2K1PTK2
SCHEMBL13688771 0.81 RAF1 (0.39) BRAFMAPK14KDR
SCHEMBL14276166 0.80 MAPK14 (0.42) BRAFMAPK14GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-7592332-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-09-22 — — US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 — — US disclosed
US-20090023701-A1 Cytokine Inhibitors AUNGST RONALD A 2009-01-22 — — US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-20070275946-A1 Cytokine Inhibitors AUNGST RONALD A 2007-11-29 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — US disclosed
US-7285545-B2 N-Pyridyl-7-substituted-2-indolecarboxamides, e.g., 1-Methyl-7-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yloxy]-1H-indole-2-carboxylic acid (2-tert-butyl-5-methoxy-pyridin-4-yl)-amide; used to treat chronic inflammatory diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-23 — — 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-20090023701-A1 Cytokine Inhibitors IL1B, TNF, IL1A BRAF 3395/4885MAPK14 436/4885MAP3K7 485/4885
US-20070275946-A1 Cytokine Inhibitors IL1B, TNF, IL1A BRAF 3395/4885MAPK14 436/4885MAP3K7 485/4885

“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.