SCHEMBL3830805

SCHEMBL3830805

CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4ncncc4-c4cc(NC5CC5)ncn4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR2C2 P49116 7/20 0.58
HCK P08631 5/20 0.58
EGFR P00533 3/20 0.56
BRAF P15056 3/20 0.56
ABL1 P00519 2/20 0.56
LYN P07948 1/20 0.56
BCR P11274 1/20 0.56
BTK Q06187 3/20 0.54
GCK P35557 2/20 0.54
MAP3K7 O43318 1/20 0.54
FES P07332 1/20 0.54
FER P16591 1/20 0.54
MAP4K2 Q12851 1/20 0.54
MAPK14 Q16539 1/20 0.54

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
SCHEMBL3828768 0.91 HCK (0.58) NR2C2HCKEGFRBRAFABL1
SCHEMBL13897939 0.91 NR2C2 (0.48) NR2C2HCKEGFRBRAFABL1
SCHEMBL3829713 0.85 BRAF (0.54) HCKBRAFLYN
SCHEMBL1826484 0.82 NR2C2 (0.58) NR2C2HCKEGFRBRAFGCK
SCHEMBL13897932 0.82 HCK (0.48) NR2C2HCKEGFRBRAFABL1
SCHEMBL3823481 0.81 KDR (0.64) HCKBRAFABL1LYNBTK
SCHEMBL3827617 0.80 HTT (0.59) NR2C2HCKEGFRBRAFABL1
SCHEMBL3234828 0.80 NR2C2 (0.59) NR2C2HCKEGFRBRAFABL1
SCHEMBL3823342 0.79 LCK (0.65) HCKBRAFLYNMAPK14
SCHEMBL3830584 0.79 BRAF (0.55) HCKBRAFLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US claimed
US-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-03-12 US 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-20090069327-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SRC, BMX, FYN NR2C2 974/4885HCK 107/4885EGFR 193/4885

“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.