SCHEMBL1598835

SCHEMBL1598835

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(-c2ccc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.80
ABL1 P00519 2/20 0.59
RAF1 P04049 2/20 0.59
LYN P07948 2/20 0.59
MAPK9 P45984 2/20 0.59
EGFR P00533 1/20 0.59
BRAF P15056 1/20 0.59
EPHA2 P29317 1/20 0.59
EPHA3 P29320 1/20 0.59
AKT1 P31749 1/20 0.59
SCARB1 Q8WTV0 7/20 0.53
SRC P12931 1/20 0.50

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
SCHEMBL4092378 0.89 MAPK14 (1.00) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL1599599 0.86 ABL1 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087252 0.82 MAPK14 (0.80) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4096218 0.82 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091658 0.82 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL1600560 0.82 MAPK14 (1.00) MAPK14SCARB1
SCHEMBL4081877 0.82 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL1599856 0.82 MAPK14 (0.58) MAPK14SCARB1
SCHEMBL4082291 0.82 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
Hydrochloric Acid SCHEMBL1899167 0.81 MAPK14 (0.98) MAPK14SCARB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP disclosed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007058990-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-24 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP disclosed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 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 (4 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-20050107399-A1 Cytokine inhibitors TNF, IL1RN, IL1A MAPK14 371/4885ABL1 663/4885RAF1 2074/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885ABL1 663/4885RAF1 2074/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885ABL1 3815/4885RAF1 916/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885ABL1 663/4885RAF1 2074/4885

“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.