SCHEMBL3384646

SCHEMBL3384646

Cc1ccc(C(=O)Nc2ccc(CN3CCNCC3)c(C(F)(F)F)c2)cc1NC(=O)N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 5/20 0.61
MAP4K2 Q12851 5/20 0.61
MAPK14 Q16539 5/20 0.61
BRAF P15056 7/20 0.58
EGFR P00533 5/20 0.58
ATM Q13315 2/20 0.56
KMT2A Q03164 1/20 0.56
EPHA2 P29317 3/20 0.55
CSK P41240 3/20 0.55
MAP3K20 Q9NYL2 3/20 0.55
MAP4K4 O95819 2/20 0.55
ABL1 P00519 2/20 0.55
RAF1 P04049 2/20 0.55
LYN P07948 2/20 0.55
SRC P12931 2/20 0.55
EPHB2 P29323 2/20 0.55
ABL2 P42684 2/20 0.55
EPHB4 P54760 2/20 0.55
FES P07332 1/20 0.55
FER P16591 1/20 0.55

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
SCHEMBL3388452 0.93 MAP3K7 (0.70) MAP3K7MAP4K2MAPK14BRAFEGFR
SCHEMBL3388557 0.91 MAPK14 (0.68) MAP3K7MAP4K2MAPK14ATMKMT2A
SCHEMBL3389218 0.91 BRAF (0.64) MAP3K7MAP4K2MAPK14BRAFEGFR
SCHEMBL3387394 0.90 MAPK14 (0.58) MAP3K7MAP4K2MAPK14BRAFEGFR
SCHEMBL4790225 0.85 ATM (0.68) MAP3K7MAP4K2MAPK14BRAFEGFR
SCHEMBL4754137 0.81 MAP3K7 (0.75) MAP3K7MAP4K2MAPK14BRAFEGFR
SCHEMBL3386965 0.81 BRAF (0.60) MAP3K7MAP4K2MAPK14BRAFATM
SCHEMBL14572597 0.81 BRAF (0.55) MAP3K7MAP4K2BRAFRAF1KIT
SCHEMBL3387007 0.80 MAP3K7 (0.51) MAP3K7MAP4K2MAPK14BRAFRAF1
SCHEMBL3384701 0.80 BRAF (0.70) MAP3K7MAP4K2MAPK14BRAFEGFR

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

“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.