SCHEMBL2788198

SCHEMBL2788198

CC(C)(C)c1cc(C(N)=O)n(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 4/20 0.51
SORT1 Q99523 4/20 0.51
MAPK14 Q16539 2/20 0.50
CLK2 P49760 2/20 0.50
CDK5 Q00535 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
PLK4 O00444 1/20 0.50
ROCK2 O75116 1/20 0.50
RPS6KA5 O75582 1/20 0.50
MAP4K4 O95819 1/20 0.50
INSR P06213 1/20 0.50
ROS1 P08922 1/20 0.50
PIM1 P11309 1/20 0.50
PHKG2 P15735 1/20 0.50
PRKACA P17612 1/20 0.50
RPS6KB1 P23443 1/20 0.50
AKT1 P31749 1/20 0.50
FLT3 P36888 1/20 0.50
CSNK1D P48730 1/20 0.50
IRAK1 P51617 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
SCHEMBL15428761 0.82 MEN1 (0.51) CLK2CDK5CLK4PLK4ROCK2
SCHEMBL29890709 0.81 MARS1 (0.55) CLK2CDK5CLK4PLK4ROCK2
SCHEMBL4718807 0.80 GRN (0.78) GRNSORT1MAPK14MAPK13MAPK12
SCHEMBL1013458 0.79 MAPT (0.47) GRNSORT1MAPK14CLK2CDK5
SCHEMBL29396393 0.79 MAPT (0.47) GRNSORT1MAPK14CLK2CDK5
SCHEMBL16768793 0.79 MAPK14 (0.49) GRNSORT1MAPK14CLK2CDK5
SCHEMBL12759919 0.76 MAPK14 (0.46) GRNSORT1MAPK14CLK2CDK5
SCHEMBL4077901 0.76 MAPK14 (0.52) GRNSORT1MAPK14CLK2CDK5
SCHEMBL657753 0.75 MAPK14 (0.43) GRNSORT1MAPK14CLK2CDK5
SCHEMBL298130 0.75 MAPK14 (0.44) GRNSORT1MAPK14CLK2CDK5

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
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP 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 GRN 3147/4885SORT1 1605/4885MAPK14 371/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GRN 3147/4885SORT1 1605/4885MAPK14 371/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B GRN 4668/4885SORT1 4163/4885MAPK14 696/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GRN 3147/4885SORT1 1605/4885MAPK14 371/4885

“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.