SCHEMBL1600714

SCHEMBL1600714

CN(C)c1nccc(Nc2ccc(C(=O)C(N)=O)c3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.40
AURKA O14965 5/20 0.40
MAPK14 Q16539 2/20 0.40
SLC22A12 Q96S37 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.37
CHEK1 O14757 1/20 0.36
PAK4 O96013 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK1 P28482 1/20 0.36
AKT1 P31749 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK2B P67870 1/20 0.36

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
SCHEMBL1599862 0.79 MAPK14 (0.47) MAPK8AURKAMAPK14SLC22A12
SCHEMBL1600583 0.77 MAPK14 (0.49) MAPK14POLBMAPT
SCHEMBL8537658 0.76 MAPK14 (0.46) MAPK14SLC22A12
SCHEMBL1600569 0.76 MAPK14 (0.64) MAPK14
SCHEMBL1600707 0.76 MAPK8 (0.49) MAPK8AURKAMAPK14CDK2
SCHEMBL5823307 0.75 MAPK14 (0.36) MAPK8AURKAMAPK14SLC22A12
SCHEMBL1600554 0.75 MAPK14 (0.57) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1598842 0.71 MAPK14 (0.81) MAPK14
SCHEMBL5809092 0.67 AKR1C4 (0.42) MAPK8AURKAMAPK14
SCHEMBL4949441 0.66 MAPK8 (0.56) MAPK8SLC22A12CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK8 912/4885AURKA 3531/4885MAPK14 371/4885
US-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885AURKA 3531/4885MAPK14 371/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B MAPK8 1348/4885AURKA 2169/4885MAPK14 696/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A MAPK8 912/4885AURKA 3531/4885MAPK14 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.