SCHEMBL12461957

SCHEMBL12461957

CN(C)C(=O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.60
MAPK13 O15264 13/20 0.60
MAPK12 P53778 13/20 0.60
MAPK11 Q15759 13/20 0.60
RAF1 P04049 11/20 0.60
MAPK9 P45984 1/20 0.60
CSNK1D P48730 2/20 0.57
CSNK1E P49674 2/20 0.57
BRAF P15056 4/20 0.57
BRDT Q58F21 1/20 0.57
GCGR P47871 2/20 0.53
ALOX5 P09917 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL2148151 0.87 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461958 0.85 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461160 0.84 RAF1 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461172 0.83 ALOX5 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461960 0.81 RAF1 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2148438 0.81 RAF1 (0.58) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461959 0.80 RAF1 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461890 0.78 BRAF (0.55) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL12461191 0.78 RAF1 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL2949385 0.77 MAPK13 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 US disclosed
WO-2011085269-A1 RAF KINASE INHIBITORS SELEXAGEN THERAPEUTICS, INC. (US) 2011-07-14 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 193/4885MAPK13 142/4885MAPK12 146/4885

“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.