SCHEMBL3386965

SCHEMBL3386965

CCN1CCN(c2ccc(C(=O)Nc3ccc(C)c(NC(=O)N(C)c4ncnc5[nH]ccc45)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.60
MAPK14 Q16539 6/20 0.55
MAP3K7 O43318 6/20 0.55
MAP4K2 Q12851 6/20 0.55
DDR1 Q08345 1/20 0.54
HCK P08631 1/20 0.53
NR2C2 P49116 1/20 0.53
BTK Q06187 1/20 0.53
CSK P41240 4/20 0.51
RAF1 P04049 3/20 0.51
EPHA2 P29317 3/20 0.51
MAP3K20 Q9NYL2 3/20 0.51
MAP4K4 O95819 2/20 0.51
ABL1 P00519 2/20 0.51
LYN P07948 2/20 0.51
SRC P12931 2/20 0.51
EPHB2 P29323 2/20 0.51
ABL2 P42684 2/20 0.51
EPHB4 P54760 2/20 0.51
FES P07332 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
SCHEMBL3384701 0.92 BRAF (0.70) BRAFMAPK14MAP3K7MAP4K2RAF1
SCHEMBL3388557 0.91 MAPK14 (0.68) MAPK14MAP3K7MAP4K2DDR1NR2C2
SCHEMBL3388410 0.90 BRAF (0.71) BRAFMAPK14MAP3K7MAP4K2RAF1
SCHEMBL3388452 0.88 MAP3K7 (0.70) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3387002 0.86 LYN (0.55) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3389218 0.85 BRAF (0.64) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3388908 0.84 BRAF (0.53) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3387394 0.83 MAPK14 (0.58) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3384646 0.81 MAP3K7 (0.61) BRAFMAPK14MAP3K7MAP4K2DDR1
SCHEMBL3387657 0.80 MAP3K7 (0.51) BRAFMAPK14MAP3K7MAP4K2HCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US claimed
EP-1891066-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-22 EP claimed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US claimed
EP-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 EP claimed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 WO claimed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
US-8183248-B2 Substituted pyrrolo[2,3-d]pyrimidines and compositions as protein kinase inhibitors IRM LLC (BM) 2012-05-22 US disclosed
EP-1891066-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-22 EP disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
US-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2009-05-07 US disclosed
EP-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 EP disclosed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 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-20090118273-A1 Compounds and Compositions as Protein Kinase Inhibitors SRC, FYN, SYK BRAF 77/4885MAPK14 226/4885MAP3K7 46/4885

“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.