SCHEMBL3388883

SCHEMBL3388883

CCCC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)Nc3cc(C4(C)CC4)nn3-c3ccc(C)cc3)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 7/20 0.55
KCNJ5 P48544 7/20 0.55
KCNJ3 P48549 7/20 0.55
MAPK14 Q16539 11/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 2/20 0.44
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
PTK2 Q05397 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
SCHEMBL3388935 0.89 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3389953 0.86 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3182713 0.86 KCNJ6 (0.57) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3180310 0.84 KCNJ6 (0.64) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3389977 0.83 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3419617 0.81 KCNJ6 (0.58) KCNJ6KCNJ5KCNJ3MAPK14MAPK13
SCHEMBL3391053 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL4603850 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3391933 0.78 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PTK2
SCHEMBL3388891 0.77 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed
US-7652015-B2 Suppression cytokines , tumor necrosis factor ELI LILLY AND COMPANY (US) 2010-01-26 US disclosed
US-7652015-B2 Suppression cytokines , tumor necrosis factor ELI LILLY AND COMPANY (US) 2010-01-26 US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 US disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 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 (1 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-20080269244-A1 Kinase Inhibitors MAP3K1, MAP3K20, MAP3K19 KCNJ6 673/4885KCNJ5 628/4885KCNJ3 618/4885

“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.