SCHEMBL3389503

SCHEMBL3389503

COc1cc(NC(=O)c2cc(N3CCOCC3)cc(C(F)(F)F)c2)cc(NC(=O)N(C)c2ncnc3[nH]ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.50
RAF1 P04049 10/20 0.50
MAP3K7 O43318 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CSF1R P07333 3/20 0.44
MAPK14 Q16539 1/20 0.43
DAPK1 P53355 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
JAK1 P23458 2/20 0.41
JAK2 O60674 1/20 0.41
NTRK1 P04629 1/20 0.40
DDR1 Q08345 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
SCHEMBL3390724 0.86 CSF1R (0.60) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL3386993 0.85 MAPK14 (0.53) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL4714607 0.80 MAP3K7 (0.39) BRAFRAF1MAP3K7MAP4K2MAPK14
SCHEMBL3387007 0.78 MAP3K7 (0.51) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL3387035 0.78 MAP3K7 (0.59) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL14572600 0.78 BRAF (0.49) BRAFRAF1MAP3K7MAP4K2MAPK14
SCHEMBL3387002 0.77 LYN (0.55) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL3387657 0.76 MAP3K7 (0.51) BRAFRAF1MAP3K7MAP4K2CSF1R
SCHEMBL3387981 0.75 MAP3K7 (0.56) BRAFRAF1MAP3K7MAP4K2MAPK14
SCHEMBL3387001 0.75 MAP3K7 (0.64) RAF1MAP3K7MAP4K2MAPK14ABL1

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 15 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
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 77/4885RAF1 22/4885MAP3K7 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.