SCHEMBL1600434

SCHEMBL1600434

CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(Oc3ccnc(N4CCOCC4)n3)c3ccccc23)no1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.65
RAF1 P04049 3/20 0.47
MAPK3 P27361 2/20 0.46
BRAF P15056 1/20 0.44
FLT3 P36888 2/20 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
SCHEMBL1599366 0.84 MAPK14 (0.48) MAPK14RAF1MAPK3BRAFFLT3
SCHEMBL1600212 0.84 MAPK14 (0.67) MAPK14BRAF
SCHEMBL1599788 0.83 MAPK14 (0.78) MAPK14BRAF
SCHEMBL4413461 0.82 MAPK14 (0.65) MAPK14BRAF
SCHEMBL1600895 0.81 MAPK14 (0.65) MAPK14
SCHEMBL1600200 0.81 MAPK14 (0.82) MAPK14
SCHEMBL1600136 0.81 MAPK14 (0.61) MAPK14
SCHEMBL1599235 0.80 MAPK14 (0.68) MAPK14
SCHEMBL8537298 0.80 MAPK14 (0.63) MAPK14
SCHEMBL1599358 0.80 MAPK14 (0.57) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO 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-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 371/4885RAF1 2074/4885MAPK3 575/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885RAF1 2074/4885MAPK3 575/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK14 696/4885RAF1 916/4885MAPK3 1761/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK14 371/4885RAF1 2074/4885MAPK3 575/4885

“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.