SCHEMBL2960045

SCHEMBL2960045

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)c3ccncc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.67
MAPK11 Q15759 2/20 0.67
ERBB2 P04626 1/20 0.67
MAPK13 O15264 2/20 0.59
RAF1 P04049 1/20 0.59
MAPT P10636 1/20 0.57
MAPK12 P53778 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL2957638 0.97 MAPK14 (0.66) MAPK14MAPK11ERBB2MAPK13RAF1
SCHEMBL4604812 0.93 MAPK14 (0.57) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4604275 0.91 PRKAB2 (0.63) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4604376 0.91 PRKAA2 (0.56) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL6143122 0.90 MAPK14 (0.57) MAPK14MAPK11ERBB2MAPK13RAF1
SCHEMBL6142656 0.88 MAPK14 (0.66) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL2950992 0.85 MAPK14 (0.58) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4602710 0.85 MAPK14 (0.57) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL6143107 0.85 MAPK14 (0.55) MAPK14MAPK11ERBB2MAPK13MAPT
SCHEMBL4601384 0.84 MAPK14 (0.61) MAPK14MAPK11ERBB2MAPK13MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
EP-1609789-A1 UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-12-28 EP 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 MAPK14 436/4885MAPK11 672/4885ERBB2 1044/4885

“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.