SCHEMBL3387394

SCHEMBL3387394

Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)c(C(F)(F)F)c2)cc1NC(=O)N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.58
MAP3K7 O43318 4/20 0.58
MAP4K2 Q12851 4/20 0.58
BRAF P15056 7/20 0.58
DDR1 Q08345 2/20 0.56
EGFR P00533 2/20 0.54
EPHA2 P29317 2/20 0.53
CSK P41240 2/20 0.53
MAP3K20 Q9NYL2 2/20 0.53
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
RAF1 P04049 1/20 0.53
FES P07332 1/20 0.53
LYN P07948 1/20 0.53
SRC P12931 1/20 0.53
FER P16591 1/20 0.53
EPHB2 P29323 1/20 0.53
FLT3 P36888 1/20 0.53
ABL2 P42684 1/20 0.53
EPHB4 P54760 1/20 0.53

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
SCHEMBL3389218 0.93 BRAF (0.64) MAPK14MAP3K7MAP4K2BRAFDDR1
SCHEMBL3388557 0.93 MAPK14 (0.68) MAPK14MAP3K7MAP4K2DDR1EPHA2
SCHEMBL3388452 0.90 MAP3K7 (0.70) MAPK14MAP3K7MAP4K2BRAFDDR1
SCHEMBL3384646 0.90 MAP3K7 (0.61) MAPK14MAP3K7MAP4K2BRAFDDR1
SCHEMBL3388410 0.89 BRAF (0.71) MAPK14MAP3K7MAP4K2BRAFRAF1
SCHEMBL3386965 0.83 BRAF (0.60) MAPK14MAP3K7MAP4K2BRAFDDR1
SCHEMBL3384701 0.82 BRAF (0.70) MAPK14MAP3K7MAP4K2BRAFEGFR
SCHEMBL4788876 0.82 ATM (0.67) MAPK14MAP3K7MAP4K2BRAFEGFR
SCHEMBL3390724 0.82 CSF1R (0.60) MAPK14MAP3K7MAP4K2BRAFRAF1
SCHEMBL4788543 0.81 BRAF (0.80) BRAFDDR1EGFRABL1CSF1R

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 MAPK14 226/4885MAP3K7 46/4885MAP4K2 17/4885

“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.