SCHEMBL1600263

SCHEMBL1600263

CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(Nc3ccnc(N4CCOCC4)c3)c3ccccc23)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.46
MAPK3 P27361 2/20 0.46
EGFR P00533 2/20 0.44
CNR2 P34972 1/20 0.42
MAPK14 Q16539 8/20 0.42
BRAF P15056 1/20 0.42
MAPK10 P53779 3/20 0.41
FLT3 P36888 1/20 0.40
MAPK9 P45984 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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 0.86 MAPK14 (0.48) RAF1MAPK3EGFRMAPK14BRAF
SCHEMBL1600330 0.82 MAPK10 (0.41) MAPK14MAPK10MAPK9
SCHEMBL1599878 0.82 MAPK14 (0.63) MAPK14MAPK10
SCHEMBL1600323 0.80 MAPK14 (0.63) RAF1EGFRMAPK14BRAFMAPK10
SCHEMBL1599203 0.80 MAPK10 (0.47) MAPK10MAPK9LMNA
SCHEMBL1600085 0.80 MAPK10 (0.50) MAPK10MAPK9ALDH1A1
SCHEMBL8534468 0.79 MAPK14 (0.41) MAPK14MAPK10MAPK9
SCHEMBL1599924 0.78 MAPK14 (0.71) RAF1EGFRMAPK14BRAFMAPK9
SCHEMBL1600345 0.77 MAPK14 (0.53) MAPK14BRAFMAPK9
SCHEMBL1600130 0.77 MAPK14 (0.65) 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 18 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
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 RAF1 2074/4885MAPK3 575/4885EGFR 3330/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A RAF1 2074/4885MAPK3 575/4885EGFR 3330/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B RAF1 916/4885MAPK3 1761/4885EGFR 4635/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A RAF1 2074/4885MAPK3 575/4885EGFR 3330/4885

“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.