SCHEMBL1600800

SCHEMBL1600800

CC(C)n1c(=O)n(-c2ccccc2)c2nc(Nc3ccccc3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.67
HSD17B10 Q99714 1/20 0.43
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
CCND2 P30279 3/20 0.42
CCND3 P30281 3/20 0.42
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AKT1 P31749 1/20 0.36
GAA P10253 1/20 0.35
ADORA2A P29274 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL1599121 0.81 GSK3B (1.00) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL1600384 0.77 MAPK8 (0.49) GSK3BHSD17B10CDK4CCND1CCND2
SCHEMBL1600068 0.70 CDK4 (0.50) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL7059471 0.68 MEN1 (0.41) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL5803855 0.63 GSK3B (1.00) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL5803009 0.63 GSK3B (0.72) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL5871799 0.62 PDE11A (0.50) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL15498470 0.62 MAPT (0.47) GSK3BCDK4CCND1CCND2CCND3
SCHEMBL13511966 0.62 GSK3B (0.49) GSK3BHSD17B10CDK4CCND1CCND2
SCHEMBL24090148 0.62 HSD17B10 (0.45) GSK3BHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
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
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 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 (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 GSK3B 1135/4885HSD17B10 2097/4885CDK4 2071/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GSK3B 1135/4885HSD17B10 2097/4885CDK4 2071/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B GSK3B 477/4885HSD17B10 1111/4885CDK4 1419/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A GSK3B 1135/4885HSD17B10 2097/4885CDK4 2071/4885

“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.